maabuu

posebusters

Plausibility checks for generated molecule poses.

posebusters_em

Energy minimization post-processing used in PoseBusters

kedro

A Python library that implements software engineering best-practice for data and ML pipelines.

alphafold

Open source code for AlphaFold.

arxiv-latex-cleaner

arXiv LaTeX Cleaner: Easily clean the LaTeX code of your paper to submit to arXiv

DeepDock

Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

post--gnn-intro

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks