Santiago Miret

Group SELFIES: a robust fragment-based molecular string representation

Austin H. Cheng, Andy Cai, Santiago Miret et al. · Digital Discovery · 2023 · 54 citations · Full text

Engineering, Machine Learning, Biometrics +16

ChemOS 2.0: An orchestration architecture for chemical self-driving laboratories

Malcolm Sim, Mohammad Ghazi Vakili, Felix Strieth‐Kalthoff et al. · Matter · 2024 · 53 citations · Full text

Engineering, Chemical Analysis, Computer Engineering +4

A framework for evaluating the chemical knowledge and reasoning abilities of large language models against the expertise of chemists

A.H. Mirza, Nawaf Alampara, Sreekanth Kunchapu et al. · Nature Chemistry · 2025 · 33 citations · Full text

Collaborative Evolutionary Reinforcement Learning

Shauharda Khadka, Somdeb Majumdar, Tarek Nassar et al. · arXiv (Cornell University) · 2019 · 32 citations · Full text

Artificial Intelligence, Reward Hacking, Engineering +15

A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi et al. · arXiv (Cornell University) · 2023 · 32 citations · Full text

Geometric Learning, Engineering, 3D Modeling +24