feat: exorcist worker #1833

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ethanholz wants to merge 20 commits into

OpenFreeEnergy:feat/warehousefrom

ethanholz:feat/exorcist

Commits on Jun 4, 2026

feat: add warehouse primitives for handling protocol units

ethanholz
authored and
atravitz
committed
feat: inital worker for exorcist

ethanholz
authored and
atravitz
committed
test: add tests for warehouse

ethanholz
authored and
atravitz
committed
fix: can now return protocol unit

ethanholz
authored and
atravitz
committed
refactor: make things more consistent

ethanholz
authored and
atravitz
committed
test: initial test setup for orchestration subpackage

ethanholz
authored and
atravitz
committed
test: initial exorcist utility testing

ethanholz
authored and
atravitz
committed
refactor: provide a root path to the exorcist DB

ethanholz
authored and
atravitz
committed
test: inital worker testing

ethanholz
authored and
atravitz
committed
feat: add shared_store

ethanholz
authored and
atravitz
committed
feat: add better handling for CLI application

ethanholz
authored and
atravitz
committed
test: add new worker tests

ethanholz
authored and
atravitz
committed
feat: add exorcist worker to CLI

ethanholz
authored and
atravitz
committed
test: add for worker CLI command

ethanholz
authored and
atravitz
committed
docs: add numpy docstrings

ethanholz
authored and
atravitz
committed
feat: add support for planning an RBFE to a Warehouse

ethanholz
authored and
atravitz
committed
fix: correct edge direction for task graph

ethanholz
authored and
atravitz
committed
refactor: remove extra debugging from warehouse

ethanholz
authored and
atravitz
committed
refactor: cleanup handling of tasks for worker

ethanholz
authored and
atravitz
committed
refactor: fix issues in the CLI for running the worker

ethanholz
authored and
atravitz
committed

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feat: exorcist worker #1833

feat: exorcist worker #1833
ethanholz wants to merge 20 commits into
OpenFreeEnergy:feat/warehousefrom
ethanholz:feat/exorcist

Commits on Jun 4, 2026

feat: add warehouse primitives for handling protocol units

feat: inital worker for exorcist

test: add tests for warehouse

fix: can now return protocol unit

refactor: make things more consistent

test: initial test setup for orchestration subpackage

test: initial exorcist utility testing

refactor: provide a root path to the exorcist DB

test: inital worker testing

feat: add shared_store

feat: add better handling for CLI application

test: add new worker tests

feat: add exorcist worker to CLI

test: add for worker CLI command

docs: add numpy docstrings

feat: add support for planning an RBFE to a Warehouse

fix: correct edge direction for task graph

refactor: remove extra debugging from warehouse

refactor: cleanup handling of tasks for worker

refactor: fix issues in the CLI for running the worker