PyDigger - unearthing stuff about Python


NameVersionSummarydate
dockstring 0.3.4 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). 2024-10-25 14:04:18
docko 0.1.1 None 2024-09-16 15:06:11
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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