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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 40 15

  2. crem-dock crem-dock Public

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

    Python 20 4

  3. streamd streamd Public

    Fully automated high-throughput MD pipeline

    Python 53 14

  4. ibenchmark ibenchmark Public

    Benchmark interpretation of QSAR models

    Jupyter Notebook 15 6

  5. pharmd pharmd Public

    MD pharmacophores and virtual screening

    Python 33 17

Repositories

Showing 8 of 8 repositories
  • streamd Public

    Fully automated high-throughput MD pipeline

    ci-lab-cz/streamd’s past year of commit activity
    Python 53 MIT 14 3 0 Updated Feb 11, 2025
  • check-std Public
    ci-lab-cz/check-std’s past year of commit activity
    Python 0 0 0 0 Updated Feb 10, 2025
  • easydock Public

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

    ci-lab-cz/easydock’s past year of commit activity
    Python 40 BSD-3-Clause 15 6 2 Updated Feb 10, 2025
  • docking-files Public
    ci-lab-cz/docking-files’s past year of commit activity
    Python 3 4 0 1 Updated Feb 8, 2025
  • crem-dock Public

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

    ci-lab-cz/crem-dock’s past year of commit activity
    Python 20 BSD-3-Clause 4 5 0 Updated Dec 30, 2024
  • pharmd Public

    MD pharmacophores and virtual screening

    ci-lab-cz/pharmd’s past year of commit activity
    Python 33 BSD-3-Clause 17 4 0 Updated Dec 15, 2023
  • ibenchmark Public

    Benchmark interpretation of QSAR models

    ci-lab-cz/ibenchmark’s past year of commit activity
    Jupyter Notebook 15 MIT 6 0 0 Updated Aug 12, 2022
  • hit-likeness Public

    Hit-likeness estimation

    ci-lab-cz/hit-likeness’s past year of commit activity
    Python 2 BSD-3-Clause 2 0 0 Updated Mar 14, 2020

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