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  1. MDANCE MDANCE Public

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

    Python 35 4

  2. MultipleComparisons MultipleComparisons Public

    Python 32 10

  3. 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 …

    Python 32 10

  4. bitbirch bitbirch Public

    BitBIRCH clustering algorithm

    Python 28 8

  5. PRIME PRIME Public

    protein structure prediction with precision

    Python 16 1

  6. Fanpy 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 8 4

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  • 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.

    mqcomplab/Fanpy’s past year of commit activity
    Python 8 4 0 0 Updated Oct 4, 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.

    mqcomplab/iSIM’s past year of commit activity
    Python 32 MIT 10 1 1 Updated Oct 4, 2024
  • MDANCE Public

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

    mqcomplab/MDANCE’s past year of commit activity
    Python 35 MIT 4 0 0 Updated Oct 4, 2024
  • bitbirch Public

    BitBIRCH clustering algorithm

    mqcomplab/bitbirch’s past year of commit activity
    Python 28 LGPL-3.0 8 0 1 Updated Aug 12, 2024
  • PRIME Public

    protein structure prediction with precision

    mqcomplab/PRIME’s past year of commit activity
    Python 16 MIT 1 0 0 Updated May 14, 2024
  • esim Public
    mqcomplab/esim’s past year of commit activity
    Python 0 1 0 0 Updated Jan 17, 2024
  • fanpt_scripts Public

    scripts to run fanpt calculations

    mqcomplab/fanpt_scripts’s past year of commit activity
    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.

    mqcomplab/GemCC_Data’s past year of commit activity
    5 1 0 0 Updated Sep 10, 2023
  • SIE_descriptors Public

    quantifying specific ion effects through charge transfer models

    mqcomplab/SIE_descriptors’s past year of commit activity
    Python 3 MIT 1 0 0 Updated Apr 16, 2023
  • mqcomplab/MultipleComparisons’s past year of commit activity
    Python 32 GPL-3.0 10 2 0 Updated Mar 18, 2022

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