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  • Displaying 5 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
    Justin MacCallum, Alberto Perez, and Ken Dill
    MELD
    MELD is a tool for inferring the structure of biomolecules from sparse, ambiguous, or noisy data. MELD combines semi-reliable data with atomistic physical models using Bayesian inference.
      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