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@ci-lab-cz

Chemical intelligence lab

Chemoinformatics and drug design group at IMTM UPOL

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  1. easydock easydock Public

    Fully automated docking pipeline (can be run in distributed environments)

    Python 44 16

  2. crem-dock crem-dock Public

    CReM-dock: generation of chemically reasonable molecules guided by molecular docking

    Python 25 4

  3. streamd streamd Public

    Fully automated high-throughput MD pipeline

    Python 61 17

  4. ibenchmark ibenchmark Public

    Benchmark interpretation of QSAR models

    Jupyter Notebook 15 6

  5. crem-pharm crem-pharm Public

    Python 1

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