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2 Results
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Poster
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Wed 8:45 |
Transfer learning for atomistic simulations using GNNs and kernel mean embeddings John Falk · Luigi Bonati · Pietro Novelli · Michele Parrinello · Massimiliano Pontil |
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Workshop
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Fri 14:40 |
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations Vaibhav Bihani · UTKARSH PRATIUSH · Sajid Mannan · Tao Du · Zhimin Chen · Santiago Miret · Matthieu Micoulaut · Morten Smedskjaer · Sayan Ranu · N M Anoop Krishnan |