DrugGen 2 Generates Drug Molecules

Ali Motahharynia · hf · 2026-07-10

DrugGen-2 is a disease-aware language model for drug discovery that can generate small molecules conditioned on disease ontologies and target protein sequences.

By fine-tuning GPT-2 through supervised learning and reinforcement learning using GRPO, this method outperforms baseline models in both molecular diversity and binding affinity.

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