ligand topic

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

rdk

A Consensus Docking Plugin for PyMOL

paiardin

AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.

filipsPL

Chemoinformatics tool for ligand-based virtual screening

UnixJunkie

3D diverse conformers generation using rdkit

UnixJunkie

Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.

MooersLab

an integrated tool for molecular docking and virtual screening

lmdu

A program analyzing 3D protein structures from PDB to generate 2D binding motifs

Cardypro