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openpharmacophore.molecular_systems.exceptions.DifferentNumAtomsError: Ligand contains 27 atoms, while smiles contains 40 atoms

Status: Open.

#86 In uibcdf/OpenPharmacophore;

· JeongSooNa opened on Jul 15, 2024

conda -c uibcdf openpharmacophore

Status: Open.

#84 In uibcdf/OpenPharmacophore;

· mapengsen opened on Aug 9, 2023

Support for Python 3.8, 3.9, 3.10

enhancementNew feature or requestNew feature or request

Status: Open.

#63 In uibcdf/OpenPharmacophore;

· Daniel-Ibarrola opened on Oct 7, 2022

Trajectories for testing

enhancementNew feature or requestNew feature or request

Status: Open.

#56 In uibcdf/OpenPharmacophore;

· Daniel-Ibarrola opened on Aug 17, 2022

Ligand Based Pharmacophore

enhancementNew feature or requestNew feature or request

Status: Open.

#53 In uibcdf/OpenPharmacophore;

· Daniel-Ibarrola opened on Jun 30, 2022

Add description to README

enhancementNew feature or requestNew feature or request

Status: Open.

#52 In uibcdf/OpenPharmacophore;

· Daniel-Ibarrola opened on Jun 27, 2022

Git tag

Status: Open.

#37 In uibcdf/OpenPharmacophore;

· hadim opened on Nov 1, 2021

Better way to show the documentation of a class in the API section

Status: Open.

#21 In uibcdf/OpenPharmacophore;

· dprada opened on Jul 16, 2021

A native format file is needed for a single pharmacophore and a library of pharmacophores

enhancementNew feature or requestNew feature or request

Status: Open.

#19 In uibcdf/OpenPharmacophore;

· dprada opened on Jul 16, 2021

·  

Version 1.0.0

Input of external pharmacophores 'autodetecting' the format

enhancementNew feature or requestNew feature or request

Status: Open.

#17 In uibcdf/OpenPharmacophore;

· dprada opened on Jul 14, 2021

·  

Version 1.0.0