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  1. bitbirch bitbirch Public

    BitBIRCH clustering algorithm

    Python 101 27

  2. MDANCE MDANCE Public

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

    Python 78 9

  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 53 14

  4. MultipleComparisons MultipleComparisons Public

    Python 38 10

  5. bblean bblean Public

    BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries (up to hundreds of millions of molecules).

    Python 30 2

  6. PRIME PRIME Public

    protein structure prediction with precision

    Python 25 1

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