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Popular repositories

  1. SECSE SECSE Public

    Forked from KeenThera/SECSE

    Systemic Evolutionary Chemical Space Exploration for Drug Discovery

    Python

  2. FBDD_suite FBDD_suite Public

    Forked from KeenThera/FBDD_suite

    A collection of computational tools for fragment based drug design

    Python

  3. Uni-Dock Uni-Dock Public

    Forked from dptech-corp/Uni-Dock

    Uni-Dock: a GPU-accelerated molecular docking program

    C++

  4. CDPKit CDPKit Public

    Forked from molinfo-vienna/CDPKit

    The Chemical Data Processing Toolkit

    C++

  5. rDock rDock Public

    Forked from CBDD/rDock

    rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) ca…

    C++

  6. bcl bcl Public

    Forked from BCLCommons/bcl

    The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…

    C++