zyu331's Stars
molmod/molmod
MolMod is a collection of molecular modelling tools for python.
usnistgov/iprPy
NIST Interatomic Potential Repository property calculation tools
usnistgov/atomman
Atomistic Manipulation Toolkit
MolMod is a collection of molecular modelling tools for python.
NIST Interatomic Potential Repository property calculation tools
Atomistic Manipulation Toolkit