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NVIDIA AI Enterprise
NVIDIA AI Enterprise
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  • Displaying 5 results
    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
    A gRPC service to generate SMILES using MegaMolBART model.
    Container
    A BART transformer language model trained on molecular SMILES strings
      Model
      Script to download all images and models required for Cheminformatics tool
      Resource
      Collection
      This collection provides access to the top HPC applications for Molecular Dynamics, Quantum Chemistry, and Scientific visualization.