11 projects
rowan-python
Rowan Python Library
stjames
structured JSON atom/molecule encoding scheme
openconf
Conformer generation for drug-like molecules
steamroll
Package to convert 3D molecules to RDKit
pypermm
pypermm
cctk
computational chemistry toolkit
pynanoflann
python wrapper for nanoflann
pymsym
libmsym python binding
chromatics
simple analysis of chromatographic data
quick-fuoss
rapid estimation of ion-pair dissociation constants
presto-md
explicit solvent molecular dynamics
