Pinned Repositories
ACoVAE
CoLiNN
hyfactor
Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
moodle-atto_molstructure
moodle-qtype_molsimilarity
RDTool
Optimized version of the Reaction Decoder Tool (RDTool)
Reaction_Data_Cleaning
Chemical reaction data cleaning
SynPlanner
An end-to-end tool for synthesis planning
Synt-On
Open-source tool for synthons-based library design.
VQGAE
Official code for the publication "Construction of order-independent molecular fragments space with vector quantised graph autoencoder".
Laboratoire-de-Chemoinformatique's Repositories
Laboratoire-de-Chemoinformatique/Synt-On
Open-source tool for synthons-based library design.
Laboratoire-de-Chemoinformatique/Reaction_Data_Cleaning
Chemical reaction data cleaning
Laboratoire-de-Chemoinformatique/hyfactor
Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
Laboratoire-de-Chemoinformatique/RDTool
Optimized version of the Reaction Decoder Tool (RDTool)
Laboratoire-de-Chemoinformatique/SynPlanner
An end-to-end tool for synthesis planning
Laboratoire-de-Chemoinformatique/VQGAE
Official code for the publication "Construction of order-independent molecular fragments space with vector quantised graph autoencoder".
Laboratoire-de-Chemoinformatique/ACoVAE
Laboratoire-de-Chemoinformatique/moodle-qtype_molsimilarity
Laboratoire-de-Chemoinformatique/CoLiNN
Laboratoire-de-Chemoinformatique/3D-MIL-QSSR
Multi-conformer QSSR for catalyst enantioselectivity prediction
Laboratoire-de-Chemoinformatique/moodle-atto_molstructure
Laboratoire-de-Chemoinformatique/Dela-Drug
Laboratoire-de-Chemoinformatique/Fragmentor2022
Laboratoire-de-Chemoinformatique/moodle-qtype_reacsimilarity
Laboratoire-de-Chemoinformatique/moodle-tiny_molstructure
Laboratoire-de-Chemoinformatique/GTM_WAE