Popular repositories Loading

1. Summer-School-Materials Summer-School-Materials Public

   Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

   C++ 6 7

2. NWChemOutputToJson NWChemOutputToJson Public

   Python files for reading NWChem output and converting to Json

   Python 4 6

3. NWChem-Json NWChem-Json Public

   NWChem version that writes out JSON

   Fortran 2 3

4. MetAtlas MetAtlas Public

   Metabolomics Atlas Data Generation and ML Work

   Jupyter Notebook 2 2

5. bodr bodr Public

   Forked from BlueObelisk/bodr

   Blue Obelisk Data Repository - your one stop place of element and isotope data.

   XSLT

6. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

   Python