Name | Version | Summary | date |
bigchem |
0.10.5 |
A distributed system for scaling and parallelizing quantum chemistry calculations |
2025-03-01 01:07:02 |
qcop |
0.9.8 |
A package for operating Quantum Chemistry programs using qcio standardized data structures. Compatible with TeraChem, psi4, QChem, NWChem, ORCA, Molpro, geomeTRIC and many more. |
2025-03-01 00:58:40 |
qcio |
0.13.1 |
Beautiful and user friendly data structures for quantum chemistry. |
2025-02-18 20:08:33 |
qcparse |
0.7.3 |
A package for parsing Quantum Chemistry program file outputs into structured qcio data objects. |
2025-02-09 01:58:06 |
tcpb |
0.14.3 |
A Python client for TeraChem's protocol buffer API. |
2025-02-07 20:22:19 |
tcparse |
0.2.1 |
A package for parsing TeraChem file outputs into structured MolSSI data objects. |
2023-03-25 22:42:55 |