Paket: python3-qcengine (0.26.0-1)
Links für python3-qcengine
Debian-Ressourcen:
Quellcode-Paket qcengine herunterladen:
Betreuer:
Externe Ressourcen:
- Homepage [github.com]
Ähnliche Pakete:
Quantum chemistry program executor and IO standardizer
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2, OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
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python3-qcengine herunterladen
Architektur | Paketgröße | Größe (installiert) | Dateien |
---|---|---|---|
all | 210,4 kB | 1.803,0 kB | [Liste der Dateien] |