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28 followers · 9 following
  • Massachusetts Institute of Technology
  • Cambridge, USA

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Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault ContributorAchievement: Starstruck

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  1. chemcoord chemcoord Public

    A python module for manipulating cartesian and internal coordinates.

    Python 73 19

  2. ghb24/NECI_STABLE ghb24/NECI_STABLE Public

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

    Fortran 44 18

  3. chemopt chemopt Public

    Optimise molecules using Zmatrices and symbolic algebra to reduce degrees of freedom.

    Python 4 3