9 projects
spci
SPCI: structural and physicochemical interpretation of QSAR models
streamd
Streamd Python module to facilitate molecular dynamics
pmapper
pmapper: 3D pharmacophore hashes and fingerprints
crem
CReM: chemically reasonable mutations framework
easydock
EasyDock Python module to facilitate molecular docking
sirms
SiRMS: simplex representation of molecular structure
moldock
Python moldock to facilitate molecular docking
psearch
PSearch: ligand-based pharmacophore modeling and screening
pharmd
PharMD: MD pharmacophores and virtual screening