8000 adabbott (Adam Abbott) · GitHub
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  • Center for Computational Quantum Chemistry, University of Georgia

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Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Sharkx2

Achievements

Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault ContributorAchievement: StarstruckAchievement: Pull Sharkx2

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  1. CCQC/PES-Learn CCQC/PES-Learn Public

    Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

    Python 76 18

  2. CCQC/Quax CCQC/Quax Public

    Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.

    C++ 72 10

  3. SymTensor SymTensor Public

    A mathematical implementation for generalized index mappings between arbitrary-rank symmetric tensors and their one-dimensional minimal representations

    TeX 2

0