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1. basis_set_exchange basis_set_exchange Public

   Forked from MolSSI-BSE/basis_set_exchange

   A repository for quantum chemistry basis sets

   Python

2. GW GW Public

   Python

3. nwchem nwchem Public

   Forked from nwchemgit/nwchem

   NWChem: Open Source High-Performance Computational Chemistry

   Fortran

4. nwchem-dockerfiles nwchem-dockerfiles Public

   Forked from nwchemgit/nwchem-dockerfiles

   files to create Docker containers

   Dockerfile

5. spec-org/water spec-org/water Public

   Deciphering the Mysteries of Hydrogen Bonding in Water

   Jupyter Notebook