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 117 16

  2. PCMol PCMol Public

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

    Jupyter Notebook 49 3

  3. QSPRpred QSPRpred Public

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

    Jupyter Notebook 47 7

  4. Papyrus-scripts Papyrus-scripts Public

    Forked from OlivierBeq/Papyrus-scripts

    Jupyter Notebook 16 2

  5. kinase-modelling kinase-modelling Public

    Forked from sohviluukkonen/kinase-modelling

    Jupyter Notebook 3

  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 24 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 49 MIT 3 1 0 Updated Nov 7, 2024
  • IMERGE-FEP Public Forked from LindeSchoenmaker/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 0 1 0 0 Updated Oct 22, 2024
  • QSPRpred Public

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

    CDDLeiden/QSPRpred’s past year of commit activity
    Jupyter Notebook 47 MIT 7 0 0 Updated Oct 2, 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 Sep 3, 2024
  • AssayCTX Public Forked from LindeSchoenmaker/AssayCTX
    CDDLeiden/AssayCTX’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Aug 8, 2024
  • DrugEx Public

    De Novo Drug Design with RNNs and Transformers

    CDDLeiden/DrugEx’s past year of commit activity
    Jupyter Notebook 117 MIT 16 1 0 Updated Aug 2, 2024
  • chembl_variants Public
    CDDLeiden/chembl_variants’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Jul 31, 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
  • 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
View all repositories

People

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

Top languages

Loading…

Most used topics

Loading…