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  1. MDANCE MDANCE Public

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

    Python 41 4

  2. MultipleComparisons MultipleComparisons Public

    Python 33 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 33 10

  4. bitbirch bitbirch Public

    BitBIRCH clustering algorithm

    Python 32 12

  5. PRIME PRIME Public

    protein structure prediction with precision

    Python 17 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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Showing 10 of 14 repositories
  • MDANCE Public

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

    mqcomplab/MDANCE’s past year of commit activity
    Python 41 MIT 4 0 0 Updated Oct 28, 2024
  • 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 2 2 Updated Oct 21, 2024
  • bitbirch Public

    BitBIRCH clustering algorithm

    mqcomplab/bitbirch’s past year of commit activity
    Python 32 LGPL-3.0 12 1 1 Updated Oct 17, 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 33 MIT 10 1 1 Updated Oct 7, 2024
  • PRIME Public

    protein structure prediction with precision

    mqcomplab/PRIME’s past year of commit activity
    Python 17 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 33 GPL-3.0 10 2 0 Updated Mar 18, 2022

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