MPNICE matches near-best accuracy on a wide range of organic and inorganic benchmarks while aiming for 5-20x faster inference.
The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa
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Efficient Long-Range Machine Learning Force Fields for Liquid and Materials Properties
MPNICE matches near-best accuracy on a wide range of organic and inorganic benchmarks while aiming for 5-20x faster inference.