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1. chemcoord chemcoord Public

   A python module for manipulating cartesian and internal coordinates.

   Python 85 17

2. fkfest/NECI_STABLE fkfest/NECI_STABLE Public

   Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

   Fortran 49 20

3. troyvvgroup/quemb troyvvgroup/quemb Public

   QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bootstrap embedding technique.

   Python 10 4