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@CDDLeiden

Computational Drug Discovery Leiden

Popular repositories

  1. DrugEx DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    Jupyter Notebook 102 13

  2. PCMol PCMol Public

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

    Python 35 2

  3. QSPRpred QSPRpred Public

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

    Jupyter Notebook 34 7

  4. Papyrus-scripts Papyrus-scripts Public

    Forked from OlivierBeq/Papyrus-scripts

    Jupyter Notebook 14 2

  5. kinase-modelling kinase-modelling Public

    Forked from sohviluukkonen/kinase-modelling

    Jupyter Notebook 2

  6. gbmt-splits gbmt-splits Public

    Forked from sohviluukkonen/gbmt-splits

    A tool to create well-balanced data splits for multi-task learning

    Python 2 1

Repositories

Showing 10 of 22 repositories
  • QSPRpred Public

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

    CDDLeiden/QSPRpred’s past year of commit activity
    Jupyter Notebook 34 MIT 7 0 0 Updated Jun 18, 2024
  • BOO-2024 Public Forked from CDDLeiden/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 Updated Jun 10, 2024
  • gbmt-splits Public Forked from sohviluukkonen/gbmt-splits

    A tool to create well-balanced data splits for multi-task learning

    CDDLeiden/gbmt-splits’s past year of commit activity
    Python 2 GPL-3.0 3 0 0 Updated Jun 4, 2024
  • chembl_variants Public
    CDDLeiden/chembl_variants’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated May 24, 2024
  • DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    CDDLeiden/DrugEx’s past year of commit activity
    Jupyter Notebook 102 MIT 13 0 0 Updated May 6, 2024
  • qsp-bench Public

    Example repository for benchmarking of QSAR models with QSPRpred.

    CDDLeiden/qsp-bench’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Mar 20, 2024
  • PCMol Public

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

    CDDLeiden/PCMol’s past year of commit activity
    Python 35 MIT 2 0 0 Updated Mar 7, 2024
  • BOO-2023 Public

    A collection of introductory materials for BOO students of 2023

    CDDLeiden/BOO-2023’s past year of commit activity
    0 1 0 0 Updated Nov 13, 2023
  • kinase-modelling Public Forked from sohviluukkonen/kinase-modelling
    CDDLeiden/kinase-modelling’s past year of commit activity
    Jupyter Notebook 2 1 0 0 Updated Sep 14, 2023
  • genui-docker Public Forked from martin-sicho/genui-docker

    A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.

    CDDLeiden/genui-docker’s past year of commit activity
    Shell 0 7 0 0 Updated Sep 4, 2023
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