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  1. MultipleComparisons MultipleComparisons Public

    Python 31 10

  2. iSIM iSIM Public

    Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …

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    Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.

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Showing 10 of 13 repositories
  • Fanpy Public

    Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.

    Python 7 4 0 2 Updated Jun 5, 2024
  • MDANCE Public

    MDANCE is a flexible n-ary clustering package for all applications.

    Python 13 MIT 4 0 0 Updated May 14, 2024
  • PRIME Public

    protein structure prediction with precision

    Python 9 MIT 1 0 0 Updated May 14, 2024
  • iSIM Public

    Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real number descriptors.

    Jupyter Notebook 18 8 1 1 Updated May 11, 2024
  • esim Public
    Python 0 1 0 0 Updated Jan 17, 2024
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    scripts to run fanpt calculations

    0 1 0 0 Updated Dec 13, 2023
  • GemCC_Data Public

    Results from newly proposed Geminal-based Coupled Cluster wavefunctions with 1-reference orbitals for strongly correlated systems.

    4 1 0 0 Updated Sep 10, 2023
  • SIE_descriptors Public

    quantifying specific ion effects through charge transfer models

    Python 3 MIT 1 0 0 Updated Apr 16, 2023
  • Python 31 GPL-3.0 10 2 0 Updated Mar 18, 2022
  • Python 2 2 0 0 Updated Oct 8, 2021

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