31 citations · 110 across the 10 of their papers we have counts for
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cs.LG2024★ 19 cited
Are large language models superhuman chemists?
Adrian Mirza, Nawaf Alampara, Sreekanth Kunchapu +32
Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. Howeve…
cs.LG2023★ 2 cited
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations
Vaibhav Bihani, Utkarsh Pratiush, Sajid Mannan +7
Equivariant graph neural networks force fields (EGraFFs) have shown great promise in modelling complex interactions in atomic systems by exploiting the graphs' inherent symmetries.…