MolEditRL uses structure-aware graph diffusion plus RL fine-tuning to edit molecules toward desired properties while preserving scaffold similarity, reporting SOTA on its own MolEdit-Instruct benchmark.
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MolEditRL: Structure-Preserving Molecular Editing via Discrete Diffusion and Reinforcement Learning
MolEditRL uses structure-aware graph diffusion plus RL fine-tuning to edit molecules toward desired properties while preserving scaffold similarity, reporting SOTA on its own MolEdit-Instruct benchmark.