Jacob Silterra 3e80ffd7a0 Merge pull request #241 from bamattsson/fixing_bug_in_atom_preprocessing ...

Fixing bug leading to atom graph containing a lot of incorrect atoms

2024-09-03 15:57:25 -04:00

..

__init__.py

Add __init__ files to all python modules. There were import failures in some cases, when project not in root directory without own virtual env

2024-06-20 17:15:12 +03:00

conformer_matching.py

Various bugfixes

2024-04-30 10:00:31 -04:00

constants.py

first commit v1.1

2024-02-28 11:21:46 -05:00

dataloader.py

first commit v1.1

2024-02-28 11:21:46 -05:00

esm_embedding_preparation.py

first commit v1.1

2024-02-28 11:21:46 -05:00

esm_embeddings_to_pt.py

first commit v1.1

2024-02-28 11:21:46 -05:00

loader.py

first commit v1.1

2024-02-28 11:21:46 -05:00

moad.py

first commit v1.1

2024-02-28 11:21:46 -05:00

parse_chi.py

changing zero to nan to allow filtering of nan in new_extract_receptor_structure

2024-07-15 15:17:36 +01:00

pdb.py

first commit v1.1

2024-02-28 11:21:46 -05:00

pdbbind.py

first commit v1.1

2024-02-28 11:21:46 -05:00

process_mols.py

Various bugfixes

2024-04-30 10:00:31 -04:00

sidechain_esm_embeddings_to_pt.py

first commit v1.1

2024-02-28 11:21:46 -05:00