Pavel

crem. CReM: chemically reasonable mutations framework

pmapper. 3D pharmacophore signatures and fingerprints

rdkit-scripts. rdkit scripts making life easier

spci. Tool for mining structure-property relationships from chemical datasets

sirms. Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors

chemicalite-scripts. Useful scripts to manipulate SQLite chemical databases

plants-scripts. scripts to work with PLANTS docking software and its output

rspci. Analysis of fragments contributions calculated by SPCI software

s4mple. Python scripts to handle S4MPLE docking output

spci-ext. scripts for structural interpretation of QSAR models