GeezerVison

Pinned Loading

1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 467 93

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 30 5

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 106 40

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 170 57

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 211 93

6. QCElemental QCElemental Public

   Periodic table, physical constants, and molecule parsing for quantum chemistry.

   Python 203 80