Fine-tune language models to generate de novo biomolecules — small molecules (SMILES/SELFIES), proteins/peptides, and nucleic acids (DNA/RNA) — from one modular, config-driven pipeline.
machine-learning cheminformatics transformers computational-biology pytorch drug-discovery rdkit bayesian-optimization smiles active-learning protein-design closed-loop de-novo-design molecular-generation egnn llm generative-ai flow-matching nvidia-nim se3-equivariant
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Updated
Jul 5, 2026 - Python