Open-ComBind Defaults, CLI, and Documentation

drewnutt / open_combind

Open-source docking pipeline leveraging pairwise statistics

Other

8 stars 1 forks source link

Open-ComBind Defaults, CLI, and Documentation #37

Closed drewnutt closed 11 months ago

drewnutt commented 11 months ago

Description

Fixed issues with the RTD pipeline so that documentation builds successfully.
Fixed issues with code documentation for accuracy and readability.
Minor bugfix for parallel IFP computation
Added single ligand ligprep to the CLI for ease of use
CLI documentation help and cleanup

Status

[ ] Ready to go

codecov[bot] commented 11 months ago

Codecov Report

Merging #37 (eadfa22) into main (e40b0d3) will increase coverage by 0.03%. Report is 1 commits behind head on main. The diff coverage is 12.50%.

Additional details and impacted files