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@CDDLeiden

Computational Drug Discovery Leiden

Popular repositoriesLoading

  1. DrugExDrugExPublic

    De Novo Drug Design with RNNs and Transformers

    Jupyter Notebook 137 19

  2. QSPRpredQSPRpredPublic

    A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

    Jupyter Notebook 63 9

  3. PCMolPCMolPublic

    Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

    Jupyter Notebook 63 7

  4. Papyrus-scriptsPapyrus-scriptsPublic

    Forked fromOlivierBeq/Papyrus-scripts

    Jupyter Notebook 18 2

  5. kinase-modellingkinase-modellingPublic

    Forked fromsohviluukkonen/kinase-modelling

    Jupyter Notebook 4

  6. PK-in-generative-drug-designPK-in-generative-drug-designPublic

    Jupyter Notebook 3

Repositories

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Showing 10 of 26 repositories
  • PCMol Public

    Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

    CDDLeiden/PCMol’s past year of commit activity
    Jupyter Notebook 63MIT 7 1 0 UpdatedMar 20, 2025
  • QSPRpred Public

    A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

    CDDLeiden/QSPRpred’s past year of commit activity
    Jupyter Notebook 63MIT 9 2 0 UpdatedMar 18, 2025
  • CDDLeiden/AssayCTX’s past year of commit activity
    Python0MIT 1 0 0 UpdatedFeb 26, 2025
  • CDDLeiden/PK-in-generative-drug-design’s past year of commit activity
    Jupyter Notebook 30 0 0 UpdatedJan 17, 2025
  • DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    CDDLeiden/DrugEx’s past year of commit activity
    Jupyter Notebook 137MIT 19 1 0 UpdatedDec 2, 2024
  • mol_weld Public Forked fromLindeSchoenmaker/mol_weld

    RDKit implementation to weld molecules with different R-groups

    CDDLeiden/mol_weld’s past year of commit activity
    Python0 1 0 0 UpdatedOct 29, 2024
  • IMERGE-FEP Public Forked fromLindeSchoenmaker/IMERGE-FEP

    To enumerate combinations of R-groups for a molecule pair and prune down to logical options for FEP intermediates.

    CDDLeiden/IMERGE-FEP’s past year of commit activity
    Jupyter Notebook 2 1 0 0 UpdatedOct 22, 2024
  • qsp-bench Public

    Example repository for benchmarking of QSAR models with QSPRpred.

    CDDLeiden/qsp-bench’s past year of commit activity
    Jupyter Notebook00 0 0 UpdatedSep 3, 2024
  • CDDLeiden/chembl_variants’s past year of commit activity
    Jupyter Notebook 1MIT0 0 0 UpdatedJul 31, 2024
  • BOO-2024 Public Forked fromCDDLeiden/BOO-2023

    A collection of introductory materials for BOO students of 2024

    CDDLeiden/BOO-2024’s past year of commit activity
    0 1 0 0 UpdatedJun 10, 2024

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