Skip to content
@CDDLeiden

Computational Drug Discovery Leiden

Popular repositories Loading

  1. DrugEx DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    Jupyter Notebook 170 26

  2. QSPRpred QSPRpred Public

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

    Jupyter Notebook 87 17

  3. PCMol PCMol Public

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

    Jupyter Notebook 73 8

  4. Papyrus-scripts Papyrus-scripts Public

    Forked from OlivierBeq/Papyrus-scripts

    Jupyter Notebook 22 2

  5. PyVADesign PyVADesign Public

    Jupyter Notebook 7 1

  6. kinase-modelling kinase-modelling Public

    Forked from sohviluukkonen/kinase-modelling

    Jupyter Notebook 5

Repositories

Showing 10 of 34 repositories
  • combinaut Public
    CDDLeiden/combinaut’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Feb 20, 2026
  • DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    CDDLeiden/DrugEx’s past year of commit activity
    Jupyter Notebook 170 MIT 26 2 3 Updated Feb 19, 2026
  • uqdd Public

    Hybrid Uncertainty Quantification for Bioactivity Assessment

    CDDLeiden/uqdd’s past year of commit activity
    Python 2 MIT 0 0 0 Updated Jan 22, 2026
  • PyTEA-O Public
    CDDLeiden/PyTEA-O’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Dec 8, 2025
  • ULLA-Leiden Public
    CDDLeiden/ULLA-Leiden’s past year of commit activity
    Jupyter Notebook 2 2 0 0 Updated Nov 14, 2025
  • teachopencadd Public Forked from jesperswillem/teachopencadd

    TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

    CDDLeiden/teachopencadd’s past year of commit activity
    Jupyter Notebook 0 CC-BY-4.0 225 0 0 Updated Nov 5, 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 87 MIT 17 2 2 Updated Oct 23, 2025
  • CBR_teaching Public Forked from jesperswillem/CBR_teaching
    CDDLeiden/CBR_teaching’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Sep 29, 2025
  • acmdd Public Forked from GJPvWesten/acmdd

    Labs for ACMDD

    CDDLeiden/acmdd’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Sep 16, 2025
  • PyVADesign Public
    CDDLeiden/PyVADesign’s past year of commit activity
    Jupyter Notebook 7 1 0 0 Updated Jul 11, 2025
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Most used topics

Loading…