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  1. bitbirch bitbirch Public

    BitBIRCH clustering algorithm

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  2. MDANCE MDANCE Public

    MDANCE: O(N) clustering for molecular dynamics. Process 1.5M frames in 40min. 8 specialized algorithms.

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  3. bblean bblean Public

    BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries

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  4. 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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  5. MultipleComparisons MultipleComparisons Public

    Python 40 10

  6. PRIME PRIME Public

    protein structure prediction with precision

    Python 26 1

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