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26 Open 67 Closed
26 Open 67 Closed
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Issues list

Descriptors calculation with PLEC
#177 opened Jan 26, 2024 by andregiuseppecavalli
Question about retrain your model on PDBbind-2016 by modifying the 'act' column
#176 opened Nov 7, 2023 by RJ-Li
for mol in ligands: TypeError: 'NoneType' object is not iterable
#175 opened Nov 7, 2023 by RJ-Li
rf = RFScore() TypeError: 'module' object is not callable
#174 opened Nov 6, 2023 by SanFran-Me
2
toolkit not being recognised
#173 opened Sep 19, 2023 by tdudgeon
AttributeError: module 'openbabel.openbabel' has no attribute 'OBElementTable'
#172 opened Sep 1, 2023 by nickyoungforu
1
pip installation failed -
#169 opened Apr 13, 2023 by dansteiert
oodt syntax error
#168 opened Feb 24, 2023 by priyanshu687
1
Training scoring functions and updated version of PDBBind
#167 opened Feb 9, 2023 by Tonylac77
2
RDKIT molecule
#166 opened Feb 8, 2023 by silviamenin
1
TypeError: in method 'new_OBMol'
#165 opened Nov 22, 2022 by ichxw
2
Installing oddt from poetry is not possible
#164 opened Nov 8, 2022 by ElricleNecro
3
PIP distribution does not correspond to github version
#163 opened Nov 2, 2022 by juliaLopanskaia
1
Protein structure used does not change when using autodock_vina_descriptor.build()
#162 opened Aug 24, 2022 by OliverT1
failure in completing
#161 opened Apr 16, 2022 by parkc23
4
Please do not install tests into the 'test' directory
#160 opened Mar 25, 2022 by yurivict
Could there be a new release?
#156 opened Nov 30, 2021 by tdudgeon
2
Calculating PLEC by bypassing completely OpenBabel
#155 opened Aug 4, 2021 by tevang
6
score discrepancies
#154 opened May 22, 2021 by michelsanner
4
Use flexible docking outputs from Vina
#121 opened May 28, 2020 by eventfulsean
1
problem of atom charges in protein PDB files
#107 opened Sep 17, 2019 by yangkimm
6
Implement X-Score TODO
#26 opened Apr 6, 2017 by mwojcikowski
Knime Nodes TODO
#23 opened Feb 10, 2017 by mwojcikowski
Implement Delta Vina scoring function TODO
#21 opened Feb 2, 2017 by mwojcikowski
Implement additional SMARTS filters TODO
#9 opened Sep 24, 2015 by mwojcikowski
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