jspeerless's Stars
CitrineInformatics/citrine-python
isayev/ASE_ANI
ANI-1 neural net potential with python interface (ASE)
datasciencemasters/go
The Open Source Data Science Masters
choderalab/software-development
A primer on software development best practices for computational chemistry
mewo2/deserts
The Deserts of the West - a 2015 NaNoGenMo entry
MDAnalysis/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.