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  • Displaying 6 results
    NVIDIA
    Cheminformatics Demo
    Real-time interactive search of chemical space is useful in the pursuit of novel chemical entities. This application demonstrates searching, screening, and organizing a large chemical database of compounds.
    Container
    NVIDIA
    MegaMolBART gPRC Service v0.1
    A gRPC service to generate SMILES using MegaMolBART model.
    Container
    NVIDIA
    MegaMolBART
    A BART transformer language model trained on molecular SMILES strings
      Model
      NVIDIA
      Cheminformatics v0.1
      Script to download all images and models required for Cheminformatics tool
      Resource
      NVIDIA
      Contrastive KERMT
      Contrastive KERMT v2.0 - graph-transformer foundation model for ADME property prediction
        Model
        Collection
        NVIDIA
        Contrastive KERMT
        Contrastive KERMT v2.0 - graph-transformer foundation model for ADMET property prediction