Author

J. Airas

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Biophysics· 1

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Approach:contrastive learning· 1 Approach:deep learning· 1

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B. Zhang· 1 shared X. Ding· 1 shared

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2023-2023 · peak 1/yr

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1 shared paperBiophysics

B. Zhang

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1 paper

Recent·Most cited

Transferable Coarse Graining via Contrastive Learning of Graph Neural Networks

J. Airas, X. Ding, B. Zhang

The paper develops a transferable coarse-grained force field using graph neural networks trained on atomistic simulation data, achieving accurate solvation free energy estimations and reasonable transferability.

bioRxiv · Sep 8, 2023Biophysics