Name | Version | Summary | date |
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 |