Training Large Language Models for Small-Molecule Design with Synthetic Task Scaling
Designing viable drug candidates requires searching a combinatorially large and rugged chemical space for molecules that satisfy multiple, often competing, objectives. Large language models (LLMs) provide a useful generative prior for this problem because of their representational capacity, reasoning ability, and flexi...
Frank Hu, Shriram Chennakesavalu, Zi-Cheng Wang et al.
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