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@Laboratoire-de-Chemoinformatique

Laboratoire-de-Chemoinformatique

Chemoinformatics Laboratory

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  1. Synt-On Synt-On Public

    Open-source tool for synthons-based library design.

    Python 81 24

  2. SynPlanner SynPlanner Public

    Computer-aided synthesis planning

    Jupyter Notebook 31 4

  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 10 1

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