diff --git a/Dockerfile b/Dockerfile
index ed65ce1..e96945c 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -1,50 +1,91 @@
-FROM quay.io/jupyter/minimal-notebook:2025-04-14
-LABEL authors="Max Winokan"
-
-
-# Ported from Max's Dockerfile to support local development
-
-# combines conda and pip environments. There's a conflict somewhere
-# which I haven't resolved (TODO) between something in conda and pip
-# envs, so cannot use a single env
-
-# this is what I'm stuck on. Project depends on numpy v1.23 (why?) and
-# I can't go over 3.12
-ARG PYTHON_VERSION=3.12
-
-
-WORKDIR "/home/code/HIPPO"
-# WORKDIR "/home/code/HIPPO/data"
-# WORKDIR "/home/code/HIPPO/hippo"
+# Dev environment for local HIPPO development.
 
-USER 0
+FROM python:3.13-slim
 
+LABEL authors="Max Winokan"
 
-# install package dependencies into different virtual env
+# The container writes into bind-mounted host directories (./data), so it runs
+# as a normal user whose id matches the host's rather than as root, otherwise
+# files created in the mounts end up root-owned on the host. Override at build
+# time if your host account is not 1000: --build-arg UID=$(id -u).
+ARG UID=1000
+ARG GID=1000
+
+ENV VIRTUAL_ENV=/home/code/HIPPO/.venv \
+    PYTHONUNBUFFERED=1 \
+    UV_LINK_MODE=copy
+
+# .venv first so `python`, `jupyter` etc. resolve to the environment.
+# PYTHONPATH puts the project root on sys.path so `import hippo` works from a
+# notebook in any subdirectory (the package itself is bind-mounted at runtime,
+# see docker-compose.yaml: ./hippo:/home/code/HIPPO/hippo).
+ENV PATH="${VIRTUAL_ENV}/bin:${PATH}" \
+    PYTHONPATH="/home/code/HIPPO"
+
+
+RUN apt-get update \
+ && apt-get install -y --no-install-recommends \
+      screen \
+      ca-certificates \
+      libexpat1 \
+      zlib1g \
+      libx11-6 \
+      libxext6 \
+      libxrender1 \
+ && rm -rf /var/lib/apt/lists/*
+
+RUN pip install --no-cache-dir uv
+
+WORKDIR /home/code/HIPPO
+
+# Only the lock and manifest are copied; the hippo package is bind-mounted at
+# runtime. --no-install-project therefore stops uv_build failing with
+# "Expected a Python module at: hippo/__init__.py". There are no
+# [project.scripts], so nothing needs the project to be installed.
 COPY uv.lock pyproject.toml ./
-RUN pip install --upgrade pip && python -m pip install uv
-
-# install all dependencies into active environment without updating lockfile
-# RUN uv sync --frozen --active
-RUN uv venv /home/code/HIPPO/.venv
-RUN uv sync --frozen --python /home/code/HIPPO/.venv/bin/python
+RUN uv venv "${VIRTUAL_ENV}" \
+ && uv sync --frozen --no-install-project
 
-# now add venv python to path so conda python can find it
-ENV PATH="/home/code/HIPPO/.venv/bin:$PATH"
-ENV PYTHONPATH="/home/code/HIPPO/.venv/lib/python${PYTHON_VERSION}/site-packages:$PYTHONPATH"
 
+# NB `import syndirella` additionally requires PyRosetta to be installed, which
+# it is not here -- xchem-fragmenstein substitutes a mock into
+# sys.modules['pyrosetta'] that supports attribute access but not submodule
+# imports, so the import dies with "'AttributeFilledMock' object is not
+# iterable". PyRosetta is a large out-of-band download with its own licence
+# terms, so it is deliberately left out; add it with
+#   python -c "import pyrosetta_installer; pyrosetta_installer.install_pyrosetta()"
+# if the code that consumes syndirella is ported. This does not affect HIPPO,
+# which does not import syndirella.
 
-# patch rich
+# Rewrites rich/jupyter.py in site-packages, so it must run while still root.
 RUN python -c "import mrich; mrich.patch_rich_jupyter_margins()"
 
-
-# notebooks
-RUN chown ${NB_USER} "/home/code" && sudo apt update && sudo apt install screen -y
-
-# force numpy update. since there's now a new venv, make sure conda is
-# used (othewise numpy will be invisible)
-RUN uv pip install --upgrade numpy==2.4.4
-USER ${NB_USER}
-
-
-# WORKDIR "/home/code/HIPPO"
+# Import smoke test. Missing system shared libraries only show up when an
+# extension is actually loaded, which otherwise means a clean build followed by
+# a container that dies on the first import (this is how the libXrender and
+# libexpat gaps above were found). Importing the heavy extension modules here
+# turns that into a build failure instead. hippo itself is not importable at
+# build time -- it is bind-mounted at runtime.
+# `syndirella` is intentionally absent from this list -- see the note above: it
+# is installed but not importable without PyRosetta.
+RUN python -c "\
+import molparse, openmm, gemmi, apsw, psycopg, sklearn, pandas, numpy, jupyterlab; \
+from rdkit.Chem.Draw import rdMolDraw2D; \
+from ta_auth_connector import get_auth_target_access; \
+print('import smoke test OK')"
+
+# -f so the build still works if the base image ever ships a group on that id.
+RUN groupadd -f -g "${GID}" hippo \
+ && useradd -u "${UID}" -g "${GID}" -m -s /bin/bash hippo \
+ && chown -R hippo:hippo /home/code
+USER hippo
+
+EXPOSE 8888
+
+# Serves on all interfaces so the published port reaches it; docker-compose maps
+# 8888:8888. The login token is printed to the container log on startup.
+CMD ["jupyter", "lab", \
+     "--ip=0.0.0.0", \
+     "--port=8888", \
+     "--no-browser", \
+     "--ServerApp.root_dir=/home/code/HIPPO"]
diff --git a/README.md b/README.md
index 85dda41..e54dc94 100644
--- a/README.md
+++ b/README.md
@@ -17,14 +17,50 @@ Please see the [documentation](https://hippo-docs.winokan.com) to get started
 
 ## Installation
 
-HIPPO is pip-installable, to install it, simply run
+HIPPO requires **python 3.13**. Install it with an explicit version:
 
 ```bash
-pip install xchem-hippo
+pip install xchem-hippo==2.0.3
 ```
 
+**Pin the version.** A bare `pip install xchem-hippo` is not safe here. If the
+requested version cannot be installed — most often because the interpreter is
+not 3.13 — pip does not report that. It quietly works backwards through older
+releases until it finds one that fits, and lands on **1.0.5**, the last release
+predating the 2.x rewrite. The install succeeds and nothing warns you, but the
+package installed is a different codebase.
+
+The 1.0.x releases cannot be yanked, as existing work depends on them, so this
+fallback path stays open. Pinning closes it: with `==` there is only one
+candidate, so pip has nothing to fall back to and reports the real error
+instead.
+
 To run the full suite of tests see README-dev.md.
 
+### Syndirella
+
+HIPPO reads and writes [Syndirella](https://github.com/xchem/syndirella)'s file
+formats. `xchem-syndirella` is a normal dependency and is installed for you.
+
+It was previously excluded, because the older `syndirella` distribution required
+python `<3.11` and `numpy<2` and so could not be depended on at all.
+`xchem-syndirella` 1.0.6 lifted both caps. It does still pin `numpy<=2.4`, which
+is what holds numpy below the latest release in this project.
+
+Note that `import syndirella` also requires **PyRosetta**, which is not
+installed automatically: it is a large out-of-band download with its own licence
+terms. Without it, `xchem-fragmenstein` substitutes a mock object for
+`pyrosetta` that cannot satisfy submodule imports, and importing syndirella
+fails with `'AttributeFilledMock' object is not iterable`. To install it:
+
+```bash
+python -c "import pyrosetta_installer; pyrosetta_installer.install_pyrosetta()"
+```
+
+This does not affect HIPPO itself, which does not yet import syndirella — the code
+that did (`Pose.posebusters()`) has not been ported yet.
+
+
 ## More Information
 
 <details>
diff --git a/hippo/bootstrap.py b/hippo/bootstrap.py
index e78dfb7..9b5261e 100644
--- a/hippo/bootstrap.py
+++ b/hippo/bootstrap.py
@@ -5,6 +5,7 @@
 import django
 import mrich
 from django.conf import settings
+from ta_auth_connector import get_auth_target_access
 
 # fix path
 ROOT = Path(__file__).resolve().parent
@@ -78,12 +79,11 @@ def load_hippo(
     mrich.bold('Creating HIPPO animal')
     mrich.var('target_name', target_name, color='arg')
 
-    # TODO: disabled because of STFC downtime on 03-07-2026. re-enable when done
-    # tas_list = get_auth_target_access(username)
+    tas_list = get_auth_target_access(username)
 
-    # if target_access_string not in tas_list:
-    #     mrich.error(f'User {username} does not have access to {target_access_string}')
-    #     return
+    if target_access_string not in tas_list:
+        mrich.error(f'User {username} does not have access to {target_access_string}')
+        return
 
     if db is None:
         # populate from env
diff --git a/hippo/designdb/models.py b/hippo/designdb/models.py
index 281d439..cd570c6 100644
--- a/hippo/designdb/models.py
+++ b/hippo/designdb/models.py
@@ -76,7 +76,7 @@ def deconstruct(self):
     # plain-text RDKitMolField shim defined above.
     MolField = RDKitMolField
 else:
-    from django_rdkit.models import MolField
+    from .rdkit_fields import MolField
 
 
 class BaseModel(models.Model):
diff --git a/hippo/designdb/rdkit_fields.py b/hippo/designdb/rdkit_fields.py
new file mode 100644
index 0000000..31c02b7
--- /dev/null
+++ b/hippo/designdb/rdkit_fields.py
@@ -0,0 +1,329 @@
+"""
+RDKit PostgreSQL cartridge field types, vendored from django-rdkit.
+
+Only the ``mol`` column type is reproduced here, since that is all HIPPO uses
+(``Pose.pose_mol``). ``RxnField``, ``BfpField`` and ``SfpField`` — and their
+``tanimoto``/``dice``/``ne``/``*fp`` lookups — are deliberately omitted; add
+them back from upstream if reaction or fingerprint columns are ever needed.
+
+Vendored because django-rdkit is not published on PyPI: it is only installable
+from git, and PyPI rejects distributions that declare direct-URL dependencies,
+so depending on it made ``pip install xchem-hippo`` unsatisfiable.
+
+Upstream: https://github.com/rdkit/django-rdkit (django_rdkit/models/fields.py)
+
+Copyright (c) 2015, Riccardo Vianello
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice, this
+   list of conditions and the following disclaimer.
+
+2. Redistributions in binary form must reproduce the above copyright notice,
+   this list of conditions and the following disclaimer in the documentation
+   and/or other materials provided with the distribution.
+
+3. Neither the name of the copyright holder nor the names of its contributors
+   may be used to endorse or promote products derived from this software
+   without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
+ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
+WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+"""
+
+from enum import Enum
+
+from django import forms
+from django.conf import settings
+from django.core.exceptions import ImproperlyConfigured, ValidationError
+from django.db.models import (
+    Field,
+    FloatField,
+    Func,
+    IntegerField,
+    Lookup,
+    Transform,
+    Value,
+)
+from django.utils.translation import gettext_lazy as _
+from rdkit.Chem import AllChem as Chem
+
+__all__ = ['MolField']
+
+
+class MolSerialization(Enum):
+    BINARY = 'BINARY'
+    TEXT = 'TEXT'
+
+
+try:
+    MOL_SERIALIZATION = MolSerialization(
+        getattr(settings, 'DJANGO_RDKIT_MOL_SERIALIZATION', 'BINARY')
+    )
+except ValueError:
+    raise ImproperlyConfigured(
+        'An invalid DJANGO_RDKIT_MOL_SERIALIZATION value was found in the '
+        f'settings. Supported values are {[v.value for v in MolSerialization]}'
+    ) from None
+
+
+class MolFieldPklMixin:
+    def get_placeholder(self, value, compiler, connection):
+        # define if/how the value assigned to this field is
+        # to be wrapped into an insertion query
+        if hasattr(value, 'as_sql'):
+            return '%s'
+        else:
+            return 'mol_from_pkl(%s)'
+
+    def select_format(self, compiler, sql, params):
+        # format to use when the corresponding column appears
+        # in select clauses.
+        return f'mol_to_pkl({sql})', params
+
+    def from_db_value(self, value, expression, connection):
+        # convert the value returned by the database driver
+        # into the desired Python data type
+        if value is None:
+            return value
+        return Chem.Mol(bytes(value))
+
+    def get_prep_value(self, value):
+        # convert from Python to the value to be used in queries
+        if isinstance(value, str):
+            value = self.text_to_mol(value)
+        if isinstance(value, Chem.Mol):
+            value = memoryview(value.ToBinary())
+        return value
+
+
+class MolFieldSmilesMixin:
+    def from_db_value(self, value, expression, connection):
+        if value is None:
+            return value
+        return Chem.MolFromSmiles(value)
+
+    def get_prep_value(self, value):
+        if isinstance(value, str):
+            value = self.text_to_mol(value)
+        if isinstance(value, Chem.Mol):
+            value = Chem.MolToSmiles(value)
+        return value
+
+
+MolFieldSerializationMixin = {
+    MolSerialization.BINARY: MolFieldPklMixin,
+    MolSerialization.TEXT: MolFieldSmilesMixin,
+}[MOL_SERIALIZATION]
+
+
+class MolField(MolFieldSerializationMixin, Field):
+    description = _('Molecule')
+
+    def db_type(self, connection):
+        # return the database column data type for this field
+        return 'mol'
+
+    def to_python(self, value):
+        # convert the input value into the expected Python data
+        # types (called during input cleanup and prior to field
+        # validation)
+        if value is None or isinstance(value, Chem.Mol):
+            return value
+        elif isinstance(value, str):
+            return self.text_to_mol(value)
+        elif isinstance(value, (bytes, bytearray, memoryview)):
+            return Chem.Mol(bytes(value))
+        else:
+            raise ValidationError('Invalid input for a Mol instance')
+
+    @staticmethod
+    def text_to_mol(value):
+        value = str(value)
+        mol = (
+            Chem.MolFromSmiles(value)
+            or Chem.MolFromMolBlock(value)
+            or Chem.inchi.MolFromInchi(value)
+        )
+        if mol is None:
+            raise ValidationError('Invalid input for a Mol instance')
+        return mol
+
+    def get_prep_lookup(self, lookup_type, value):
+        """Perform preliminary non-db specific lookup checks and conversions"""
+        supported_lookup_types = [
+            'hassubstruct',
+            'issubstruct',
+            'exact',
+            'isnull',
+        ] + [T.lookup_name for T in MOL_DESCRIPTOR_TRANSFORMS]
+        if lookup_type in supported_lookup_types:
+            return value
+        raise TypeError(f'Field has invalid lookup: {lookup_type}')
+
+    def formfield(self, **kwargs):
+        # Use TextField as default input form to accommodate line breaks
+        # needed for molBlocks
+        defaults = {
+            'form_class': forms.CharField,
+            'strip': False,
+            'widget': forms.Textarea,
+        }
+        defaults.update(kwargs)
+        return super().formfield(**defaults)
+
+
+###################################################################
+# MolField lookup operations, substruct and exact searches
+
+
+class MolLookupMixin:
+    def get_prep_lookup(self):
+        if self.rhs_is_direct_value():
+            if isinstance(self.rhs, Chem.Mol):
+                if MOL_SERIALIZATION == MolSerialization.BINARY:
+                    self.rhs = self.rhs.ToBinary()
+                    self.rhs = Func(self.rhs, function='mol_from_pkl')
+                elif MOL_SERIALIZATION == MolSerialization.TEXT:
+                    self.rhs = Value(Chem.MolToSmiles(self.rhs))
+                else:
+                    # this should never happen, because MOL_SERIALIZATION
+                    # is validated at import time
+                    raise NotImplementedError
+            else:
+                self.rhs = Value(self.rhs)
+        return super().get_prep_lookup()
+
+
+class HasMolSubstruct(MolLookupMixin, Lookup):
+    lookup_name = 'hassubstruct'
+    prepare_rhs = True
+
+    def as_sql(self, qn, connection):
+        lhs, lhs_params = self.process_lhs(qn, connection)
+        rhs, rhs_params = self.process_rhs(qn, connection)
+        params = lhs_params + rhs_params
+        return f'{lhs} @> {rhs}', params
+
+
+class IsMolSubstruct(MolLookupMixin, Lookup):
+    lookup_name = 'issubstruct'
+    prepare_rhs = True
+
+    def as_sql(self, qn, connection):
+        lhs, lhs_params = self.process_lhs(qn, connection)
+        rhs, rhs_params = self.process_rhs(qn, connection)
+        params = lhs_params + rhs_params
+        return f'{lhs} <@ {rhs}', params
+
+
+class SameStructure(MolLookupMixin, Lookup):
+    lookup_name = 'exact'
+    prepare_rhs = True
+
+    def as_sql(self, qn, connection):
+        lhs, lhs_params = self.process_lhs(qn, connection)
+        rhs, rhs_params = self.process_rhs(qn, connection)
+        params = lhs_params + rhs_params
+        return f'{lhs} @= {rhs}', params
+
+
+MolField.register_lookup(HasMolSubstruct)
+MolField.register_lookup(IsMolSubstruct)
+MolField.register_lookup(SameStructure)
+
+
+##########################################
+# MolField transforms and descriptors
+
+
+def make_descriptor_mixin(name, prefix, field):
+    return type(
+        str(f'{name.upper()}_Mixin'),
+        (object,),
+        {
+            'descriptor_name': name,
+            'function': f'{prefix}_{name}',
+            'default_output_field': field,
+        },
+    )
+
+
+class DescriptorTransform(Transform):
+    def as_sql(self, qn, connection):
+        lhs, params = qn.compile(self.lhs)
+        return f'{self.function}({lhs})', params
+
+
+MOL_DESCRIPTORS = [
+    ('hba', IntegerField),
+    ('hbd', IntegerField),
+    ('numatoms', IntegerField),
+    ('numheavyatoms', IntegerField),
+    ('numrotatablebonds', IntegerField),
+    ('numheteroatoms', IntegerField),
+    ('numrings', IntegerField),
+    ('numaromaticrings', IntegerField),
+    ('numaliphaticrings', IntegerField),
+    ('numsaturatedrings', IntegerField),
+    ('numaromaticheterocycles', IntegerField),
+    ('numaliphaticheterocycles', IntegerField),
+    ('numsaturatedheterocycles', IntegerField),
+    ('numaromaticcarbocycles', IntegerField),
+    ('numaliphaticcarbocycles', IntegerField),
+    ('numsaturatedcarbocycles', IntegerField),
+    ('amw', FloatField),
+    ('logp', FloatField),
+    ('tpsa', FloatField),
+    ('fractioncsp3', FloatField),
+    ('chi0v', FloatField),
+    ('chi1v', FloatField),
+    ('chi2v', FloatField),
+    ('chi3v', FloatField),
+    ('chi4v', FloatField),
+    ('chi0n', FloatField),
+    ('chi1n', FloatField),
+    ('chi2n', FloatField),
+    ('chi3n', FloatField),
+    ('chi4n', FloatField),
+    ('kappa1', FloatField),
+    ('kappa2', FloatField),
+    ('kappa3', FloatField),
+    ('murckoscaffold', MolField),
+]
+
+
+MOL_DESCRIPTOR_MIXINS = [
+    make_descriptor_mixin(descriptor, 'mol', field_class())
+    for descriptor, field_class in MOL_DESCRIPTORS
+]
+
+
+MOL_DESCRIPTOR_TRANSFORMS = [
+    type(
+        str(f'{mixin.descriptor_name.upper()}_Transform'),
+        (
+            mixin,
+            DescriptorTransform,
+        ),
+        {
+            'lookup_name': mixin.descriptor_name,
+            'output_field': mixin.default_output_field,
+        },
+    )
+    for mixin in MOL_DESCRIPTOR_MIXINS
+]
+
+
+for descriptor_transform in MOL_DESCRIPTOR_TRANSFORMS:
+    MolField.register_lookup(descriptor_transform)
diff --git a/hippo/ta_auth_connector.py b/hippo/ta_auth_connector.py
deleted file mode 100644
index f369f37..0000000
--- a/hippo/ta_auth_connector.py
+++ /dev/null
@@ -1,168 +0,0 @@
-"""A module that provides simplified request access to the TA Authenticator service.
-Provides the following functions, that access the authenticator Pod: -
-
-- get_auth_version()
-- get_auth_ping()
-- get_auth_target_access(username)
-"""
-
-# downloaded from https://github.com/xchem/fragalysis-target-access-authenticator-python-client
-# incompatible versions because this is stuck on 3.12 and ta-auth requires 3.13
-
-import logging
-import os
-from dataclasses import dataclass
-from urllib.parse import quote
-
-import requests
-
-# Service location (e.g. "http://auth.ta-authenticator.svc") and request query key
-_TA_AUTH_SERVICE: str = os.environ.get('TA_AUTH_SERVICE', '')
-_TA_AUTH_QUERY_KEY: str = os.environ.get('TA_AUTH_QUERY_KEY', '')
-
-_URL_TIMEOUT: int = 3
-_QUERY_HEADERS: dict[str, str] = {'X-TAAQueryKey': _TA_AUTH_QUERY_KEY}
-
-logger: logging.Logger = logging.getLogger(__name__)
-
-
-@dataclass
-class TasAuthVersionGetResponse:
-    """The TA authenticator version response (including the base URL)."""
-
-    version: str
-    kind: str
-    name: str
-    location: str = _TA_AUTH_SERVICE
-
-
-@dataclass
-class TasAuthPingGetResponse:
-    """The TA authenticator ping response."""
-
-    ping: str
-
-
-def get_auth_version() -> TasAuthVersionGetResponse:
-    """Returns the version reported by the TA authentication service."""
-    if not _TA_AUTH_SERVICE:
-        return TasAuthVersionGetResponse(
-            version='', kind='AUTH_SERVICE_NOT_DEFINED', name=''
-        )
-    if not _TA_AUTH_QUERY_KEY:
-        return TasAuthVersionGetResponse(
-            version='', kind='SERVICE_QUERY_KEY_NOT_DEFINED', name=''
-        )
-
-    url: str = f'{_TA_AUTH_SERVICE}/version/'
-    resp: requests.Response | None = None
-    try:
-        resp = requests.get(url, timeout=_URL_TIMEOUT)
-    except requests.exceptions.RequestException as r_ex:  # pylint: disable=broad-except
-        logger.error('TA:GET:%s RequestException (%s)', url, r_ex)
-    except Exception as ex:  # pylint: disable=broad-exception-caught
-        logger.error('TA:GET:%s Exception (%s)', url, ex)
-
-    if resp is None:
-        logger.warning('TA:GET:%s (no response)', url)
-        return TasAuthVersionGetResponse(
-            version='', kind='ERROR_INTERNAL', name='Null response'
-        )
-    elif resp.status_code not in (200,):
-        logger.warning('TA:GET:%s [%s] (status not 200)', url, resp.status_code)
-        return TasAuthVersionGetResponse(
-            version='', kind='ERROR_INTERNAL', name='(status not 200)'
-        )
-    elif 'application/json' not in resp.headers.get('Content-Type', ''):
-        logger.warning('TA:GET:%s (empty response)', url)
-        return TasAuthVersionGetResponse(
-            version='', kind='ERROR_INTERNAL', name='(empty response)'
-        )
-    elif 'version' not in resp.json():
-        logger.warning('TA:GET:%s (no version property)', url)
-        return TasAuthVersionGetResponse(
-            version='', kind='ERROR_INTERNAL', name='(no version property)'
-        )
-
-    logger.info('TA:GET:%s [%s]', url, resp.json())
-
-    return TasAuthVersionGetResponse(
-        version=resp.json()['version'],
-        kind=resp.json()['kind'],
-        name=resp.json()['name'],
-    )
-
-
-def get_auth_ping() -> TasAuthPingGetResponse:
-    """Returns the ping reported by the TA authentication service."""
-    if not _TA_AUTH_SERVICE:
-        return TasAuthPingGetResponse(ping='AUTH_SERVICE_NOT_DEFINED')
-
-    url: str = f'{_TA_AUTH_SERVICE}/ping/'
-    resp: requests.Response | None = None
-    try:
-        resp = requests.get(url, timeout=_URL_TIMEOUT)
-    except requests.exceptions.RequestException as r_ex:  # pylint: disable=broad-except
-        logger.error('TA:GET:%s RequestException (%s)', url, r_ex)
-    except Exception as ex:  # pylint: disable=broad-exception-caught
-        logger.error('TA:GET:%s Exception (%s)', url, ex)
-
-    if resp is None:
-        logger.warning('TA:GET:%s (no response)', url)
-        return TasAuthPingGetResponse('PING response was null')
-    elif resp.status_code not in (200,):
-        logger.warning('TA:GET:%s [%s] (status not 200)', url, resp.status_code)
-        return TasAuthPingGetResponse('PING response status not 200')
-    elif 'application/json' not in resp.headers.get('Content-Type', ''):
-        logger.warning('TA:GET:%s (empty response)', url)
-        return TasAuthPingGetResponse('PING response was empty')
-    elif 'ping' not in resp.json():
-        logger.warning('TA:GET:%s (no ping property)', url)
-        return TasAuthPingGetResponse('PING response has no ping property')
-
-    ping: str = resp.json()['ping']
-    logger.info('TA:GET:%s [%s]', url, ping)
-
-    return TasAuthPingGetResponse(ping=ping)
-
-
-def get_auth_target_access(username: str) -> set[str]:
-    """Returns the set of target access strings a user is entitled to
-    as reported by the TA authentication service."""
-    assert username
-
-    empty_target_access: set[str] = set()
-
-    if not _TA_AUTH_QUERY_KEY:
-        logger.debug('Skipping query - query key is not set (TA_AUTH_QUERY_KEY)')
-        return empty_target_access
-
-    url: str = f'{_TA_AUTH_SERVICE}/target-access/{quote(username)}'
-    resp: requests.Response | None = None
-    try:
-        resp = requests.get(url, headers=_QUERY_HEADERS, timeout=_URL_TIMEOUT)
-    except requests.exceptions.RequestException as ex:  # pylint: disable=broad-except
-        logger.error('TA:GET:%s RequestException (%s)', url, ex)
-    except Exception as ex:  # pylint: disable=broad-exception-caught
-        logger.error('TA:GET:%s Exception (%s)', url, ex)
-
-    if resp is None:
-        logger.warning('TA:GET:%s (no response)', url)
-        return empty_target_access
-    if resp.status_code not in (200,):
-        logger.warning('TA:GET:%s [%s] (status not 200)', url, resp.status_code)
-        return empty_target_access
-    elif 'application/json' not in resp.headers.get('Content-Type', ''):
-        logger.warning('TA:GET:%s (empty response)', url)
-        return empty_target_access
-    elif 'count' not in resp.json():
-        logger.warning('TA:GET:%s (no count)', url)
-        return empty_target_access
-    elif 'target_access' not in resp.json():
-        logger.warning('TA:GET:%s (no target_access)', url)
-        return empty_target_access
-
-    target_access: set[str] = set(resp.json()['target_access'])
-    logger.info('TA:GET:%s (got %d for %s)', url, len(target_access), username)
-
-    return target_access
diff --git a/images/xchem-designdb/Dockerfile b/images/xchem-designdb/Dockerfile
index 1b72437..b8ccead 100644
--- a/images/xchem-designdb/Dockerfile
+++ b/images/xchem-designdb/Dockerfile
@@ -1,18 +1,23 @@
-# Dockerfile — RDKit + Postgres cartridge build (Bookworm / Postgres 18)
-# CVE mitigation: pinned base 18.3-bookworm; gosu rebuilt with Go >= 1.24.8 to fix golang stdlib CVEs; apt-get upgrade in runtime.
+# Dockerfile — multi-stage RDKit + Postgres cartridge build (Trixie / Postgres 18)
+# Build-time args (defaults can be overridden via docker-compose build args or .env)
+#
+# Build:
+#   docker compose build --pull --no-cache
 
 ARG RDKIT_VERSION=Release_2025_09_5
 ARG BOOST_VERSION=1.90.0
 ARG BOOST_VER_US=1_90_0
+ARG DEBIAN_SUITE=trixie
 ARG PG_MAJOR=18
-ARG PG_BASE=postgres:18.3-bookworm
-ARG GOLANG_VERSION=1.24.13-alpine
+ARG PG_BASE=postgres:18.4-trixie
+ARG GOLANG_VERSION=1.26.5-alpine
 ARG GOSU_VERSION=1.19
+ARG GOLANG_X_SYS_VERSION=0.44.0
 
 # -------------------------------------------------------------------
 # Stage 1: builder image (uses upstream postgres dev headers)
 # -------------------------------------------------------------------
-FROM ${PG_BASE} AS builder
+FROM postgres:${PG_MAJOR}-${DEBIAN_SUITE} AS builder
 
 ARG RDKIT_VERSION
 ARG BOOST_VERSION
@@ -23,9 +28,9 @@ ENV DEBIAN_FRONTEND=noninteractive
 ENV CMAKE_PREFIX_PATH=/usr/local
 ENV PATH="/usr/lib/postgresql/${PG_MAJOR}/bin:${PATH}"
 
-# Install build deps (no python3-pip; RDKit Python wrappers are OFF)
+# Install build deps (no curl — use wget for downloads)
 RUN apt-get update && apt-get install -y --no-install-recommends \
-    build-essential cmake git ca-certificates curl python3 \
+    build-essential cmake git ca-certificates wget python3 \
     postgresql-server-dev-${PG_MAJOR} \
     libeigen3-dev libcairo2-dev libfreetype6-dev libpng-dev libjpeg-dev \
     zlib1g-dev pkg-config && \
@@ -36,16 +41,14 @@ WORKDIR /opt
 RUN set -eux; \
     BOOST_URL="https://archives.boost.io/release/${BOOST_VERSION}/source/boost_${BOOST_VER_US}.tar.gz"; \
     echo "Downloading Boost from: ${BOOST_URL}"; \
-    curl -fSL --retry 5 --retry-connrefused -o boost.tar.gz "${BOOST_URL}"; \
+    wget -q --retry-connrefused --tries=5 -O boost.tar.gz "${BOOST_URL}"; \
     tar -xzf boost.tar.gz; \
     cd "boost_${BOOST_VER_US}"; \
     ./bootstrap.sh --prefix=/usr/local; \
     ./b2 -j"$(nproc)" install
 
-# pg_config in PATH and as PG_CONFIG (RDKit CMake may probe both)
-ENV PG_CONFIG="/usr/lib/postgresql/${PG_MAJOR}/bin/pg_config"
-RUN ln -sf "$PG_CONFIG" /usr/bin/pg_config && \
-    mkdir -p /usr/lib/bin && ln -sf "$PG_CONFIG" /usr/lib/bin/pg_config
+# Ensure pg_config in PATH
+RUN ln -sf /usr/lib/postgresql/${PG_MAJOR}/bin/pg_config /usr/bin/pg_config
 
 # Fetch RDKit source
 RUN git clone --depth 1 --branch "${RDKIT_VERSION}" https://github.com/rdkit/rdkit.git /opt/rdkit
@@ -78,14 +81,18 @@ RUN set -eux; \
 # The official postgres image includes gosu (used by docker-entrypoint.sh for
 # privilege switching) built with an older Go stdlib, causing ~60 CVEs including
 # CVE-2025-68121 (Critical). Upstream fix: https://github.com/docker-library/postgres/pull/1323
-# We rebuild gosu with Go (stdlib >= 1.24.8 fixes the CVEs) and replace the binary.
+# We rebuild gosu with Go >= 1.24.13 and replace the binary.
 # REMOVAL: Remove this stage when the official postgres image ships gosu built
-# with Go >= 1.24.8 (check https://github.com/docker-library/postgres/pull/1323).
+# with a patched Go toolchain (check https://github.com/docker-library/postgres/pull/1323).
 FROM golang:${GOLANG_VERSION} AS gosu-builder
-ARG GOSU_VERSION=1.19
+ARG GOSU_VERSION
+ARG GOLANG_X_SYS_VERSION
 RUN apk add --no-cache git ca-certificates && \
     git clone --depth 1 --branch "${GOSU_VERSION}" https://github.com/tianon/gosu.git /gosu && \
-    cd /gosu && go build -o gosu .
+    cd /gosu && \
+    go get "golang.org/x/sys@v${GOLANG_X_SYS_VERSION}" && \
+    go mod tidy && \
+    CGO_ENABLED=0 go build -ldflags="-s -w" -o gosu .
 
 # -------------------------------------------------------------------
 # Stage 3: final runtime image
@@ -100,17 +107,31 @@ ENV DEBIAN_FRONTEND=noninteractive
 COPY --from=gosu-builder /gosu/gosu /usr/local/bin/gosu
 RUN gosu --version
 
-# Runtime libraries required by rdkit and cairo/freetype. Latest Debian patches to fix CVE
-RUN apt-get update && apt-get upgrade -y && apt-get install -y --no-install-recommends \
-    libcairo2 libfreetype6 libpng16-16 libjpeg62-turbo zlib1g && \
-    rm -rf /var/lib/apt/lists/*
+# OS security updates + RDKit runtime libs only — no curl (healthcheck uses pg_isready)
+RUN set -eux; \
+    apt-get update; \
+    apt-get upgrade -y --no-install-recommends; \
+    apt-get install -y --no-install-recommends \
+        libcairo2 libfreetype6 libpng16-16 libjpeg62-turbo zlib1g; \
+    apt-get purge -y --auto-remove curl libcurl4t64 2>/dev/null || true; \
+    apt-get purge -y --auto-remove \
+        gnupg gpg gpg-agent gpgconf gpgsm dirmngr gnupg-l10n 2>/dev/null || true; \
+    apt-get autoremove -y --purge; \
+    apt-get clean; \
+    rm -rf /var/lib/apt/lists/* /var/cache/apt/* \
+           /tmp/* /var/tmp/* \
+           /usr/share/doc/* /usr/share/man/* /usr/share/info/*
 
 # Copy RDKit cartridge artifacts from builder
 COPY --from=builder /usr/lib/postgresql/${PG_MAJOR}/lib/rdkit.so /usr/lib/postgresql/${PG_MAJOR}/lib/
 COPY --from=builder /usr/share/postgresql/${PG_MAJOR}/extension/rdkit* /usr/share/postgresql/${PG_MAJOR}/extension/
 
 # Copy Boost runtime libs from builder
-COPY --from=builder /usr/local/lib/libboost_*.so* /usr/local/lib/
+COPY --from=builder /usr/local/lib/ /tmp/boost_libs/
+RUN if [ -n "$(find /tmp/boost_libs -name 'libboost_*' -type f 2>/dev/null)" ]; then \
+        cp /tmp/boost_libs/libboost_* /usr/local/lib/ 2>/dev/null || true; \
+    fi && \
+    rm -rf /tmp/boost_libs
 
 # Update linker cache so Postgres can load rdkit.so
 RUN ldconfig
diff --git a/images/xchem-designdb/docker-compose.yml b/images/xchem-designdb/docker-compose.yml
index ffd5ad1..864f3a1 100644
--- a/images/xchem-designdb/docker-compose.yml
+++ b/images/xchem-designdb/docker-compose.yml
@@ -1,5 +1,5 @@
 # Postgres + RDKit cartridge (designdb). Config via .env.
-# Rebuild with: docker compose build --pull  to refresh base image and reduce CVEs.
+# Rebuild with: docker compose build --pull --no-cache  to refresh base image and CVE fixes.
 
 services:
   database:
@@ -10,8 +10,13 @@ services:
         RDKIT_VERSION: ${RDKIT_VERSION:-Release_2025_09_5}
         BOOST_VERSION: ${BOOST_VERSION:-1.90.0}
         BOOST_VER_US: ${BOOST_VER_US:-1_90_0}
+        DEBIAN_SUITE: ${DEBIAN_SUITE:-trixie}
         PG_MAJOR: ${PG_MAJOR:-18}
-        PG_BASE: ${PG_BASE:-postgres:18.3-bookworm}
+        PG_BASE: ${PG_BASE:-postgres:18.4-trixie}
+        # Gosu CVE fix: rebuild gosu with patched Go stdlib (remove when postgres image fixes upstream)
+        GOLANG_VERSION: ${GOLANG_VERSION:-1.26.5-alpine}
+        GOSU_VERSION: ${GOSU_VERSION:-1.19}
+        GOLANG_X_SYS_VERSION: ${GOLANG_X_SYS_VERSION:-0.44.0}
     image: xchem_designdb:latest
     container_name: xchem_designdb
     restart: unless-stopped
diff --git a/images/xchem-designdb/env.template b/images/xchem-designdb/env.template
index 791d64e..226b661 100644
--- a/images/xchem-designdb/env.template
+++ b/images/xchem-designdb/env.template
@@ -18,5 +18,12 @@ POSTGRES_DATA_PATH=CHANGE_ME
 RDKIT_VERSION=Release_2025_09_5
 BOOST_VERSION=1.90.0
 BOOST_VER_US=1_90_0
+# DEBIAN_SUITE must match the suffix in PG_BASE (e.g. postgres:18.4-trixie)
+DEBIAN_SUITE=trixie
 PG_MAJOR=18
-PG_BASE=postgres:18.2-bookworm
+PG_BASE=postgres:18.4-trixie
+# Gosu CVE fix: rebuild gosu with patched Go stdlib (remove when postgres image fixes upstream)
+GOLANG_VERSION=1.26.5-alpine
+GOSU_VERSION=1.19
+# golang.org/x/sys bump for CVE-2026-39824 in gosu binary
+GOLANG_X_SYS_VERSION=0.44.0
diff --git a/pyproject.toml b/pyproject.toml
index 96fb1e7..7e30100 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -4,15 +4,26 @@ build-backend = "uv_build"
 
 [project]
 name = "xchem-hippo"
-version = "1.0.0"
+version = "2.0.3"
 authors = [
     { name = "Max Winokan", email = "max@winokan.com" },
     { name = "Kalev Takkis", email = "ktakkis@informaticsmatters.com" },
 ]
 description = "Hit Interaction Profiling and Procurement Optimisation"
 readme = "README.md"
-# python version limit dictated by pandas
-requires-python = ">=3.10,<3.14"
+# Lower bound: xchem-ta-auth-client declares requires-python >=3.13.
+#
+# Deliberately NO upper bound, even though xchem-syndirella currently declares
+# <3.14. Adding one would achieve nothing and cost something:
+#   - it changes no outcome. On 3.14 pip lands on the ancient 1.0.5 either way
+#     -- with a cap because 2.x is filtered out, without one because pip
+#     backtracks past the unsatisfiable xchem-syndirella. Measured, not assumed.
+#   - published metadata is immutable, so a cap here would block 3.14 forever,
+#     including after syndirella gains 3.14 support. Without one, released
+#     versions start working on 3.14 by themselves once that happens.
+# This is exactly the trap syndirella's own stale <3.11 cap set for this project
+# -- don't repeat it. Cap only when a version is genuinely known to be broken.
+requires-python = ">=3.13"
 classifiers = [
     "Programming Language :: Python :: 3",
     "License :: OSI Approved :: MIT License",
@@ -37,22 +48,21 @@ dependencies = [
     "python-louvain>=0.16",
     "psycopg[binary]>=3.3",
     "django>=5.2.12",
-    "syndirella>=5.0.7a0",
     "typer>=0.24.1",      # used?
     "neo4j>=6.1.0",
     "gemmi>=0.7.5",
     "mrich>=1.0",
     "requests>=2.32",
     "pdbfixer>=1.12.0",
-    # Max's hippo depends on this. cannot install with uv, comes from conda
+    "xchem-ta-auth-client>=1.0.0",
+    "numpy>=2",
+    "xchem-syndirella>=1.0.6",
+    # original HIPPO depends on this. cannot install with uv, comes from conda
     # "chemicalite==2024.5.1",
     # options:
     # - this is probably present in diamond environments,
     # - can use conda install in container
     # - but.. probs don't even need it, it's only used for expressions and I got that covered
-    "django-rdkit",
-    "numpy>=1.26.4",
-    # "numpy>=2", # need it but not working
 ]
 
 [dependency-groups]
@@ -132,9 +142,6 @@ markers = [
     "sqlite: container-free tests that run in SQLite mode (no Postgres/Fragalysis). Run with `pytest -m sqlite`.",
 ]
 
-[tool.uv.sources]
-django-rdkit = { git = "https://github.com/rdkit/django-rdkit" }
-
 [tool.uv]
 required-environments = [
     "sys_platform == 'linux' and platform_machine == 'aarch64'",
diff --git a/tests/conftest.py b/tests/conftest.py
index 9c98a44..f428b58 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -41,16 +41,26 @@ def animal(tmp_path_factory):
     Session-scoped (Django is configured once per process). Downloads are off:
     ``DOWNLOAD_APO_DESOLV_ON_INIT`` defaults to False, so init does no network.
     """
+    from unittest.mock import patch
+
     import hippo
 
     db_path = tmp_path_factory.mktemp("hippo_db") / "test.sqlite"
 
-    return hippo.HIPPO(
-        target_name="test",
-        target_access_string="test-proposal",
-        username="test-user",
-        db=str(db_path),
-    )
+    # load_hippo() checks the target access string against the TA authenticator
+    # service. There is no service (and no TA_AUTH_QUERY_KEY) in the test
+    # environment, and an unset key yields an empty access set, which would make
+    # load_hippo() return None. Stub the lookup rather than relaxing the check.
+    with patch(
+        "hippo.bootstrap.get_auth_target_access",
+        return_value={"test-proposal"},
+    ):
+        return hippo.HIPPO(
+            target_name="test",
+            target_access_string="test-proposal",
+            username="test-user",
+            db=str(db_path),
+        )
 
 
 @pytest.fixture
diff --git a/uv.lock b/uv.lock
index 6759362..f058459 100644
--- a/uv.lock
+++ b/uv.lock
@@ -1,17 +1,9 @@
 version = 1
 revision = 3
-requires-python = ">=3.10, <3.14"
+requires-python = ">=3.13"
 resolution-markers = [
-    "python_full_version >= '3.13' and sys_platform == 'win32'",
-    "python_full_version == '3.12.*' and sys_platform == 'win32'",
-    "python_full_version >= '3.13' and sys_platform == 'emscripten'",
-    "python_full_version == '3.12.*' and sys_platform == 'emscripten'",
-    "python_full_version >= '3.13' and sys_platform != 'emscripten' and sys_platform != 'win32'",
-    "python_full_version == '3.12.*' and sys_platform != 'emscripten' and sys_platform != 'win32'",
-    "python_full_version == '3.11.*' and sys_platform == 'win32'",
-    "python_full_version == '3.11.*' and sys_platform == 'emscripten'",
-    "python_full_version == '3.11.*' and sys_platform != 'emscripten' and sys_platform != 'win32'",
-    "python_full_version < '3.11'",
+    "python_full_version >= '3.14'",
+    "python_full_version < '3.14'",
 ]
 required-markers = [
     "platform_machine == 'aarch64' and sys_platform == 'linux'",
@@ -29,11 +21,11 @@ wheels = [
 
 [[package]]
 name = "annotated-types"
-version = "0.7.0"
+version = "0.8.0"
 source = { registry = "https://pypi.org/simple" }
-sdist = { url = "https://files.pythonhosted.org/packages/ee/67/531ea369ba64dcff5ec9c3402f9f51bf748cec26dde048a2f973a4eea7f5/annotated_types-0.7.0.tar.gz", hash = "sha256:aff07c09a53a08bc8cfccb9c85b05f1aa9a2a6f23728d790723543408344ce89", size = 16081, upload-time = "2024-05-20T21:33:25.928Z" }
+sdist = { url = "https://files.pythonhosted.org/packages/5f/56/a8120250d128bed162cd73c76d45f6ef9991f3e068f62a8ee060afa3104a/annotated_types-0.8.0.tar.gz", hash = "sha256:13b2beaad985e05e2d6407ee4c4f35590b11f8d693a258a561055cac8f64cab7", size = 15893, upload-time = "2026-07-23T20:16:13.995Z" }
 wheels = [
-    { url = "https://files.pythonhosted.org/packages/78/b6/6307fbef88d9b5ee7421e68d78a9f162e0da4900bc5f5793f6d3d0e34fb8/annotated_types-0.7.0-py3-none-any.whl", hash = "sha256:1f02e8b43a8fbbc3f3e0d4f0f4bfc8131bcb4eebe8849b8e5c773f3a1c582a53", size = 13643, upload-time = "2024-05-20T21:33:24.1Z" },
+    { url = "https://files.pythonhosted.org/packages/99/91/8acff4f5e50511b911bbccb72b8628a49c68ce14148cd9f6431094859a90/annotated_types-0.8.0-py3-none-any.whl", hash = "sha256:f072f4d804ea359e4eaf198b1af7a8b0943881a87f31bb764f8bf219bb9419e0", size = 13427, upload-time = "2026-07-23T20:16:12.938Z" },
 ]
 
 [[package]]
@@ -41,9 +33,7 @@ name = "anyio"
 version = "4.12.1"
 source = { registry = "https://pypi.org/simple" }
 dependencies = [
-    { name = "exceptiongroup", marker = "python_full_version < '3.11'" },
     { name = "idna" },
-    { name = "typing-extensions", marker = "python_full_version < '3.13'" },
 ]
 sdist = { url = "https://files.pythonhosted.org/packages/96/f0/5eb65b2bb0d09ac6776f2eb54adee6abe8228ea05b20a5ad0e4945de8aac/anyio-4.12.1.tar.gz", hash = "sha256:41cfcc3a4c85d3f05c932da7c26d0201ac36f72abd4435ba90d0464a3ffed703", size = 228685, upload-time = "2026-01-06T11:45:21.246Z" }
 wheels = [
@@ -65,45 +55,6 @@ version = "3.51.3.0"
 source = { registry = "https://pypi.org/simple" }
 sdist = { url = "https://files.pythonhosted.org/packages/0c/87/ae61c54529fb44610962599ab3b909627928992e59c28775dff76bf04125/apsw-3.51.3.0.tar.gz", hash = "sha256:821966a66ed5fd539e863a8f60d9a53497e0a47ffdabde4ec7714fae9ed00261", size = 1231663, upload-time = "2026-03-14T16:05:10.236Z" }
 wheels = [
-    { url = "https://files.pythonhosted.org/packages/e3/fa/3e0d2fabfd5e0529e039da183f5ef8cbad2fe1980b8da6c88cc785bde801/apsw-3.51.3.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:ea214a63f811f769c1d54fd03a4be0a261d5b1bebf70820785bd0717b404d84c", size = 3729236, upload-time = "2026-03-14T16:02:32.895Z" },
-    { url = "https://files.pythonhosted.org/packages/fe/09/607b745b189157a8b8e3f314d13f18a6091b1eb07476b41bf03a3378185c/apsw-3.51.3.0-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:01ff1d8553813d122326bade5e6402f11cb27afcb4db889f969584432e58e77a", size = 3496106, upload-time = "2026-03-14T16:02:34.93Z" },
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+
+[[package]]
+name = "xchem-hippo"
+version = "2.0.3"
 source = { editable = "." }
 dependencies = [
     { name = "apsw" },
     { name = "chardet" },
-    { name = "django", version = "5.2.13", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.12'" },
-    { name = "django", version = "6.0.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.12'" },
-    { name = "django-rdkit" },
+    { name = "django" },
     { name = "gemmi" },
     { name = "hippo-plot" },
     { name = "hirsch" },
@@ -4295,22 +3333,20 @@ dependencies = [
     { name = "mpytools" },
     { name = "mrich" },
     { name = "neo4j" },
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-    { name = "networkx", version = "3.6.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11'" },
+    { name = "networkx" },
     { name = "numpy" },
     { name = "openmm" },
     { name = "openpyxl" },
-    { name = "pandas", version = "2.3.3", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version < '3.11'" },
-    { name = "pandas", version = "3.0.1", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11'" },
+    { name = "pandas" },
     { name = "pdbfixer" },
     { name = "psycopg", extra = ["binary"] },
     { name = "python-louvain" },
     { name = "rdkit" },
     { name = "requests" },
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-    { name = "scikit-learn", version = "1.8.0", source = { registry = "https://pypi.org/simple" }, marker = "python_full_version >= '3.11'" },
-    { name = "syndirella" },
+    { name = "scikit-learn" },
     { name = "typer" },
+    { name = "xchem-syndirella" },
+    { name = "xchem-ta-auth-client" },
     { name = "yattag" },
 ]
 
@@ -4329,7 +3365,6 @@ requires-dist = [
     { name = "apsw", specifier = ">=3.51" },
     { name = "chardet", specifier = ">=7" },
     { name = "django", specifier = ">=5.2.12" },
-    { name = "django-rdkit", git = "https://github.com/rdkit/django-rdkit" },
     { name = "gemmi", specifier = ">=0.7.5" },
     { name = "hippo-plot", specifier = ">=0.0.1" },
     { name = "hirsch", specifier = ">=0.1" },
@@ -4340,7 +3375,7 @@ requires-dist = [
     { name = "mrich", specifier = ">=1.0" },
     { name = "neo4j", specifier = ">=6.1.0" },
     { name = "networkx", specifier = ">=3.4" },
-    { name = "numpy", specifier = ">=1.26.4" },
+    { name = "numpy", specifier = ">=2" },
     { name = "openmm", specifier = ">=8.4" },
     { name = "openpyxl", specifier = ">=3.1" },
     { name = "pandas", specifier = ">=2.3" },
@@ -4350,8 +3385,9 @@ requires-dist = [
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     { name = "requests", specifier = ">=2.32" },
     { name = "scikit-learn", specifier = ">=1.7" },
-    { name = "syndirella", specifier = ">=5.0.7a0" },
     { name = "typer", specifier = ">=0.24.1" },
+    { name = "xchem-syndirella", specifier = ">=1.0.6" },
+    { name = "xchem-ta-auth-client", specifier = ">=1.0.0" },
     { name = "yattag", specifier = ">=1.16" },
 ]
 
@@ -4365,6 +3401,47 @@ dev = [
     { name = "ty", specifier = ">=0.0.19" },
 ]
 
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+    { name = "glob2" },
+    { name = "jupyter" },
+    { name = "matplotlib" },
+    { name = "numpy" },
+    { name = "openpyxl" },
+    { name = "pandas" },
+    { name = "pillow" },
+    { name = "pyrosetta-installer" },
+    { name = "pyyaml" },
+    { name = "rdkit" },
+    { name = "requests" },
+    { name = "scikit-learn" },
+    { name = "seaborn" },
+    { name = "setuptools" },
+    { name = "shortuuid" },
+    { name = "xchem-fragmenstein" },
+    { name = "xlrd" },
+]
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+[[package]]
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+version = "1.0.0"
+source = { registry = "https://pypi.org/simple" }
+dependencies = [
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 name = "xlrd"
 version = "2.0.2"