Pavel

crem

Last released Nov 20, 2024

CReM: chemically reasonable mutations framework

spci

Last released Nov 4, 2024

SPCI: structural and physicochemical interpretation of QSAR models

streamd

Last released Oct 15, 2024

Streamd Python module to facilitate molecular dynamics

pmapper

Last released May 17, 2024

pmapper: 3D pharmacophore hashes and fingerprints

easydock

Last released Apr 18, 2024

EasyDock Python module to facilitate molecular docking

sirms

Last released Apr 13, 2023

SiRMS: simplex representation of molecular structure

moldock

Last released Mar 28, 2023

Python moldock to facilitate molecular docking

psearch

Last released Feb 25, 2020

PSearch: ligand-based pharmacophore modeling and screening

pharmd

Last released Dec 16, 2019

PharMD: MD pharmacophores and virtual screening