Skip to content

Popular repositories Loading

  1. MDANCE MDANCE Public

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

    Python 43 4

  2. bitbirch bitbirch Public

    BitBIRCH clustering algorithm

    Python 38 14

  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 35 10

  4. MultipleComparisons MultipleComparisons Public

    Python 33 10

  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

Repositories

Showing 10 of 15 repositories
  • 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 35 MIT 10 2 0 Updated Dec 13, 2024
  • MDANCE Public

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

    mqcomplab/MDANCE’s past year of commit activity
    Python 43 MIT 4 0 0 Updated Dec 8, 2024
  • bitbirch Public

    BitBIRCH clustering algorithm

    mqcomplab/bitbirch’s past year of commit activity
    Python 38 LGPL-3.0 14 2 1 Updated Dec 5, 2024
  • iSIM_sigma Public Forked from klopezperez/iSIM_sigma
    mqcomplab/iSIM_sigma’s past year of commit activity
    Jupyter Notebook 2 1 0 0 Updated Nov 24, 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 3 Updated Oct 21, 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

Top languages

Loading…

Most used topics

Loading…