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ANI-1ccX

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2 results in Keywords: ANI-1ccX

Theoretical and Computational Chemistry

Comparison of Machine-Learning and Classical Force Fields in Simulating the Solvation of Small Organic Molecules in Acetonitrile

Sangni Xun, Fang Liu

Version 2 posted 01 November 2023

645

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Theoretical and Computational Chemistry

Simulating Protein-Ligand Binding with Neural Network Potentials

Shae-Lynn Lahey, Christopher Rowley

Version 1 posted 29 November 2019

759

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