Skip to content
@Laboratoire-de-Chemoinformatique

Laboratoire-de-Chemoinformatique

Chemoinformatics Laboratory

Popular repositories Loading

  1. Synt-On Synt-On Public

    Open-source tool for synthons-based library design.

    Python 83 24

  2. SynPlanner SynPlanner Public

    Computer-aided synthesis planning

    Jupyter Notebook 43 6

  3. Reaction_Data_Cleaning Reaction_Data_Cleaning Public

    Chemical reaction data cleaning

    Python 30 9

  4. RDTool RDTool Public

    Optimized version of the Reaction Decoder Tool (RDTool)

    Java 18 2

  5. hyfactor hyfactor Public

    Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".

    Python 18 8

  6. VQGAE VQGAE Public

    Official code for the publication "Construction of order-independent molecular fragments space with vector quantised graph autoencoder".

    Python 11 1

Repositories

Showing 10 of 20 repositories
  • ChemographyKit Public
    Laboratoire-de-Chemoinformatique/ChemographyKit’s past year of commit activity
    Jupyter Notebook 4 MIT 0 0 0 Updated Dec 16, 2025
  • SynPlanner Public

    Computer-aided synthesis planning

    Laboratoire-de-Chemoinformatique/SynPlanner’s past year of commit activity
    Jupyter Notebook 43 MIT 6 2 (1 issue needs help) 0 Updated Dec 14, 2025
  • SCOPE-DEL Public
    Laboratoire-de-Chemoinformatique/SCOPE-DEL’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Sep 19, 2025
  • CGR-Case-Study Public

    Modelling Suzuki Reactions with CGRs

    Laboratoire-de-Chemoinformatique/CGR-Case-Study’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jul 4, 2025
  • Fragmentor2025 Public
    Laboratoire-de-Chemoinformatique/Fragmentor2025’s past year of commit activity
    Pascal 0 GPL-3.0 0 0 0 Updated May 12, 2025
  • moodle-tiny_molstructure Public
    Laboratoire-de-Chemoinformatique/moodle-tiny_molstructure’s past year of commit activity
    JavaScript 0 2 3 0 Updated Feb 27, 2025
  • moodle-qtype_reacsimilarity Public
    Laboratoire-de-Chemoinformatique/moodle-qtype_reacsimilarity’s past year of commit activity
    JavaScript 0 GPL-3.0 1 1 0 Updated Feb 21, 2025
  • moodle-qtype_molsimilarity Public
    Laboratoire-de-Chemoinformatique/moodle-qtype_molsimilarity’s past year of commit activity
    JavaScript 6 1 7 0 Updated Feb 21, 2025
  • ACoVAE Public
    Laboratoire-de-Chemoinformatique/ACoVAE’s past year of commit activity
    Python 8 GPL-3.0 4 0 0 Updated Jan 9, 2025
  • Synt-On Public

    Open-source tool for synthons-based library design.

    Laboratoire-de-Chemoinformatique/Synt-On’s past year of commit activity
    Python 83 BSD-3-Clause 24 7 3 Updated Jan 8, 2025
View all repositories

Top languages

Loading…

Most used topics

Loading…