most citedDistMLIP: A Distributed Inference Platform for Machine Learning Interatomic Potentials

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cs.AI2026

SMDD-Bench: Can LLMs Solve Real-World Small Molecule Drug Design Tasks?

Kevin Han, Renfei Zhang, Kathy Wei +3

LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across div…