SmileyLlama is an LLM transformed via SFT and DPO to generate valid novel drug-like molecules with user-specified properties and optimized 3D conformations for high binding affinity.
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
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SmileyLlama: Modifying Large Language Models for Directed Chemical Space Exploration
SmileyLlama is an LLM transformed via SFT and DPO to generate valid novel drug-like molecules with user-specified properties and optimized 3D conformations for high binding affinity.