[ aramo ]
[ 源代码: qcengine ]
软件包: python3-qcengine (0.21.0-2)
python3-qcengine 的相关链接
Trisquel 的资源:
下载源码包 qcengine:
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
外部的资源:
- 主页 [github.com]
相似软件包:
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.
其他与 python3-qcengine 有关的软件包
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