Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

<p>The preprocessed datasets described in the paper: "Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations." </p> <p><br></p> <p>Paper: <a href="https://arxiv.org/abs/2210.07237&quo...

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Bibliographic Details
Main Author: Xiang Fu (13956813) (author)
Other Authors: Zhenghao Wu (9732511) (author), Wujie Wang (6058610) (author), Tian Xie (2262748) (author), Sinan Keten (1357923) (author), Rafael Gómez-Bombarelli (5656816) (author), Tommi S Jaakkola (5815240) (author)
Published: 2022
Subjects:
Applications in physical sciences
machine learning
molecular dynamics
Computational Physics
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