PyDigger - unearthing stuff about Python


NameVersionSummarydate
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
Colton Hicks
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