Skip to content

@Laboratoire-de-Chemoinformatique Laboratoire-de-Chemoinformatique

Change the repository type filter

All

    Repositories list

    18 repositories

    • SynPlanner

      Public
      Computer-aided synthesis planning
      chemistrycheminformaticsmonte-carlo-tree-searchchemical-reactionsretrosynthesis
      Jupyter Notebook
      •
      MIT License
      •4•31•1•0•Updated Aug 15, 2025Aug 15, 2025

    • CGR-Case-Study

      Public
      Modelling Suzuki Reactions with CGRs
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jul 4, 2025Jul 4, 2025

    • Fragmentor2025

      Public
      Pascal
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated May 12, 2025May 12, 2025

    • moodle-tiny_molstructure

      Public
      JavaScript
      •2•0•3•0•Updated Feb 27, 2025Feb 27, 2025

    • moodle-qtype_reacsimilarity

      Public
      JavaScript
      •
      GNU General Public License v3.0
      •1•0•1•0•Updated Feb 21, 2025Feb 21, 2025

    • moodle-qtype_molsimilarity

      Public
      JavaScript
      •1•6•6•0•Updated Feb 21, 2025Feb 21, 2025

    • ACoVAE

      Public
      Python
      •
      GNU General Public License v3.0
      •4•8•0•0•Updated Jan 9, 2025Jan 9, 2025

    • Synt-On

      Public
      Open-source tool for synthons-based library design.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •24•81•7•3•Updated Jan 8, 2025Jan 8, 2025

    • GTM_WAE

      Public
      Jupyter Notebook
      •
      MIT License
      •3•8•0•0•Updated Nov 21, 2024Nov 21, 2024

    • CoLiNN

      Public
      Python
      •
      MIT License
      •3•7•1•0•Updated Jul 9, 2024Jul 9, 2024

    • moodle-atto_molstructure

      Public
      JavaScript
      •0•1•0•0•Updated Mar 19, 2024Mar 19, 2024

    • 3D-MIL-QSSR

      Public
      Catalyst enantioselectivity prediction
      Python
      •
      MIT License
      •1•1•0•0•Updated Nov 9, 2023Nov 9, 2023

    • VQGAE

      Public
      Official code for the publication "Construction of order-independent molecular fragments space with vector quantised graph autoencoder".
      Python
      •
      MIT License
      •1•10•0•0•Updated Oct 10, 2023Oct 10, 2023

    • hyfactor

      Public
      Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
      molecular-generation
      Python
      •
      GNU Lesser General Public License v3.0
      •8•18•0•0•Updated Jan 17, 2023Jan 17, 2023

    • Dela-Drug

      Public
      Python
      •
      GNU General Public License v3.0
      •0•0•1•0•Updated Jan 2, 2023Jan 2, 2023

    • Fragmentor2022

      Public
      Pascal
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Sep 19, 2022Sep 19, 2022

    • Reaction_Data_Cleaning

      Public
      Chemical reaction data cleaning
      Python
      •
      GNU Lesser General Public License v2.1
      •9•30•1•0•Updated Apr 19, 2022Apr 19, 2022

    • RDTool

      Public
      Optimized version of the Reaction Decoder Tool (RDTool)
      Java
      •
      GNU Lesser General Public License v2.1
      •2•18•1•0•Updated Sep 17, 2020Sep 17, 2020