Movatterモバイル変換

QCFractal Public
A distributed compute and database platform for quantum chemistry.
MolSSI/QCFractal’s past year of commit activity
Python 152BSD-3-Clause 52 34 2 UpdatedJul 11, 2025
QCEngine Public
Quantum chemistry program executor and IO standardizer (QCSchema).
MolSSI/QCEngine’s past year of commit activity
Python 185BSD-3-Clause 80 41 (1 issue needs help) 19 UpdatedJun 26, 2025
QCElemental Public
Periodic table, physical constants, and molecule parsing for quantum chemistry.
MolSSI/QCElemental’s past year of commit activity
Python 164BSD-3-Clause 72 33 (1 issue needs help) 15 UpdatedJun 26, 2025
cookiecutter-cms Public
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
MolSSI/cookiecutter-cms’s past year of commit activity
Python 427MIT 92 20 6 UpdatedJun 26, 2025
QCManyBody Public
Intermolecular many-body expansion with QCArchive integration
MolSSI/QCManyBody’s past year of commit activity
Python 5BSD-3-Clause 1 1 0 UpdatedJun 14, 2025
QCArchive-DowApp Public
MolSSI/QCArchive-DowApp’s past year of commit activity
Python00 0 0 UpdatedJun 3, 2025
QCArchiveDemos Public
Demo notebooks for QCArchive
MolSSI/QCArchiveDemos’s past year of commit activity
Jupyter Notebook 3BSD-3-Clause 1 0 0 UpdatedFeb 20, 2025
QCArchiveWebsite Public
The QCArchive landing page.
MolSSI/QCArchiveWebsite’s past year of commit activity
HTML 6BSD-3-Clause 8 13 0 UpdatedFeb 3, 2025
zenopy Public
An open-source Python library for Zenodo REST API
MolSSI/zenopy’s past year of commit activity
Python 7LGPL-3.0 2 3 0 UpdatedOct 15, 2024
molssi-hub Public
MolSSI Container Hub for Computational Molecular Science
MolSSI/molssi-hub’s past year of commit activity
Python 6 2 0 0 UpdatedSep 20, 2024