2 citations · 2 across the 1 of their papers we have counts for
2 papers
cs.LG2025★ 2 cited
Transformers Discover Molecular Structure Without Graph Priors
Tobias Kreiman, Yutong Bai, Fadi Atieh +3
Computational simulations play a central role in scientific discovery, and machine learning (ML) has emerged as a promising alternative to traditional physics-based modeling. Howev…
physics.chem-ph2025
MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform
Yuan Chiang, Tobias Kreiman, Christine Zhang +11
Machine learning interatomic potentials (MLIPs) have revolutionized molecular and materials modeling, but existing benchmarks suffer from data leakage, limited transferability, and…