drewnutt / open_combind

Open-source docking pipeline leveraging pairwise statistics

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Closed drewnutt closed 2 years ago

drewnutt commented 2 years ago

Description

Allows more user configuration of the ligand 3D conformation generation process. Hopefully, facilitating better docking.

Notable points that this PR has either accomplished or will accomplish.

codecov-commenter commented 2 years ago

Merging #3 (7645900) into main (ef14186) will increase coverage by 0.35%. The diff coverage is 50.00%.