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cs.LG2026
onepot-Bench 0: towards lab-aware in silico chemistry benchmarks
Brandon Wang, Andrei S. Tyrin, Daniil A. Boiko
Language models are playing an increasingly important role in laboratory science, performing tasks such as experiment planning, execution, and post-hoc analysis. However, precisely…
cs.LG2025
AI Agents in Drug Discovery
Srijit Seal, Dinh Long Huynh, Moudather Chelbi +17
Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research wor…