11 projects
cremdock
CReM-dock: molecule generation and decoration guided by molecular docking
easydock
EasyDock Python module to facilitate molecular docking
crem
CReM: chemically reasonable mutations framework
streamd
Streamd Python module to facilitate molecular dynamics
spci
SPCI: structural and physicochemical interpretation of QSAR models
crempharm
CReM-pharm: enumeration of structures based on 3D pharmacophores by means of CReM
pmapper
pmapper: 3D pharmacophore hashes and fingerprints
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
