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Issues list

re-order add_feature arguments covariates modules from the 'features' subpackage disc Discussion needed, to better define the task/s stale issue not touched from too much time
#633 opened Jul 22, 2024 by DaniBodor
Add single proteins/molecules class stale issue not touched from too much time
#605 opened May 21, 2024 by gcroci2
Provide the trained models for various scenarios. feature New feature to add stale issue not touched from too much time
#602 opened Mar 22, 2024 by amjjbonvin
Add example data for antibody-antigen docking models use case disc Discussion needed, to better define the task/s needs info more information is needed stale issue not touched from too much time
#553 opened Jan 15, 2024 by gcroci2 M1.4: Tutorials&Datasets
Add example data for protein-ligand complexes use case disc Discussion needed, to better define the task/s needs info more information is needed stale issue not touched from too much time
#552 opened Jan 15, 2024 by gcroci2 M1.4: Tutorials&Datasets
Allow for multiple-chain graphs blocking This issue blocks the others disc Discussion needed, to better define the task/s stale issue not touched from too much time
#547 opened Jan 15, 2024 by gcroci2 M1.3: Multiple-chains
Consider allowing mixed resolution graphs for protein-ligand graphs blocked disc Discussion needed, to better define the task/s
#546 opened Jan 15, 2024 by gcroci2 M1.2: Protein-ligands
Allow for none-residue atom entries for protein-ligand graphs blocking This issue blocks the others stale issue not touched from too much time
#544 opened Jan 15, 2024 by gcroci2 M1.2: Protein-ligands
Add nucleotides to aminoacidlist for protein-nucleic acid graphs blocking This issue blocks the others stale issue not touched from too much time
#543 opened Jan 15, 2024 by DaniBodor M1.1: Protein-nucleic acids
Fix build for Python 3.11 blocked bug Something isn't working CI continuous integration
#540 opened Jan 3, 2024 by gcroci2
Make MapMethod an attribute of GridSettings in deeprank2.grid module nice to have low priority issues stale issue not touched from too much time
#516 opened Nov 1, 2023 by DaniBodor
make _set_feature_modules to return ModuleType objects nice to have low priority issues stale issue not touched from too much time
#512 opened Oct 9, 2023 by DaniBodor
variant residue is only added to atomic graphs, but not residue graphs bug Something isn't working needs info more information is needed stale issue not touched from too much time
#511 opened Oct 9, 2023 by DaniBodor
Integrate PDBprep feature New feature to add stale issue not touched from too much time tools tools for users to interact with deeprank
#509 opened Oct 4, 2023 by DaniBodor
Refactor deeprank2.tools.target.add_targets function nice to have low priority issues stale issue not touched from too much time
#499 opened Sep 20, 2023 by gcroci2
Create feature classes nice to have low priority issues stale issue not touched from too much time
#486 opened Sep 5, 2023 by DaniBodor
Bug: No error message when no value calculated for HSE covariates modules from the 'features' subpackage stale issue not touched from too much time
#402 opened Mar 22, 2023 by Max1461
Fix usage for multiple GPUs Trainer trainer module related issues
#325 opened Jan 20, 2023 by gcroci2
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