5 projects
chemcloud
Fast, secure, scalable quantum chemistry. A Python client for the the ChemCloud server.
qcop
A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more.
qcio
Beautiful and user friendly data structures for quantum chemistry.
qcparse
A package for parsing Quantum Chemistry program file outputs into structured qcio data objects.
bigchem
A distributed system for scaling and parallelizing quantum chemistry calculations