Chemistry & ADMET · NVIDIA / BioNeMo
Autoregressive SMILES generation and forward reaction prediction.
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1–30s
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About this model
Trained on ZINC and ChEMBL, MegaMolBART handles both unconditional generation and reaction product prediction, which makes it useful in synthesis planning as well as design.
Standardized I/O contract
Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.
Inputs
Ligand SMILES
Outputs
Sampled molecules.
