An AI-powered drug analog ideation pipeline leveraging NVIDIA BioNeMo (MolMIM), Llama 3.3 70B (NVIDIA NIM), and RDKit to generate, filter, and rank optimized molecular candidates from lead compounds with automated toxicity and property validation.
cheminformatics drug-discovery rdkit chembl molecular-docking molecule-generation llama3 nvidia-nim t4-gpu bionemo molmim
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Updated
Jul 14, 2026 - Jupyter Notebook