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  • Massachusetts Institute of Technology
  • Cambridge, USA

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  1. chemcoord chemcoord Public

    A python module for manipulating cartesian and internal coordinates.

    Python 85 18

  2. ghb24/NECI_STABLE ghb24/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 8 5