Laboratoire-de-Chemoinformatique

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1. Synt-On Synt-On Public

   Open-source tool for synthons-based library design.

   Python 91 28

2. SynPlanner SynPlanner Public

   Computer-aided synthesis planning

   Jupyter Notebook 58 8

3. Reaction_Data_Cleaning Reaction_Data_Cleaning Public

   Chemical reaction data cleaning

   Python 31 9

4. RDTool RDTool Public

   Optimized version of the Reaction Decoder Tool (RDTool)

   Java 17 2

5. hyfactor hyfactor Public

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

   Python 17 8

6. VQGAE VQGAE Public

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

   Python 12 1