[ Kaynak: qcengine ]
Paket: python3-qcengine (0.29.0-1)
python3-qcengine için bağlantılar
Debian Kaynakları:
- Hata Raporları
- Developer Information
- Debian Değişim Günlüğü
- Telif Hakkı Dosyası
- Debian Yama Takipçisi
qcengine Kaynak Paketini İndir:
Geliştiriciler:
Dış Kaynaklar:
- Ana Sayfa [github.com]
Benzer paketler:
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.
python3-qcengine ile İlgili Diğer Paketler
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- dep: python3
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- dep: python3-psutil
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- dep: python3-pydantic (>= 1.8.2)
- Data validation and settings management using Python type hinting
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- dep: python3-qcelemental (>= 0.23.0)
- Periodic table, physical constants, and molecule parsing for quantum chemistry
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- dep: python3-yaml
- YAML parser and emitter for Python3
python3-qcengine indir
Mimari | Paket Boyutu | Kurulu Boyut | Dosyalar |
---|---|---|---|
all | 212,9 kB | 1.815,0 kB | [dosya listesi] |