ReMedI: Inference-Time Refinement and Self-Distillation for Controllable Molecular Optimization
It is argued a pre-trained model may already contain useful molecular edits that zero-shot generation cannot efficiently reach, and proposed ReMedI, which uses the molecular language model as a base proposer for inference-time alignment, is proposed.
Jia-Yi Zhang, Shivanshu Shekhar, Allison McLevige et al.
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