PyDigger - unearthing stuff about Python


NameVersionSummarydate
posebusters 0.2.12 PoseBusters: Plausibility checks for generated molecule poses. 2024-03-19 15:44:42
ringtail 1.1.0 Package for creating database from virtual screening files and performing filtering on results. 2023-11-01 18:34:20
dockstring 0.3.2 Package for easy ligand preparation and docking with AutoDock Vina against a highly-curated selection of 58 protein targets. One of the three components of the DOCKSTRING bundle (package, dataset, and benchmark tasks). 2023-09-02 16:54:04
meeko 0.5.0 Python package for preparing small molecule for docking 2023-07-28 23:51:36
luna 0.13.1 LUNA: drug discovery toolkit 2023-07-12 12:22:10
ccmap 4.0.2 A C implementation of a mesh based atomic pairwise distance computating engine, with docking pose generation capabilities and fast solvant accessible surface estimation 2023-01-12 18:42:59
pycaverdock 1.2.0 Python API for CaverDock 2022-12-17 09:51:07
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