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Energy Prediction on MD17 aspirin Revised

Energy Prediction on MD17 aspirin Revised

0.0465MAE2F-Dis.

Updated 8mo ago

Evaluation results

Method	Links
2F-Dis.2023.02		0.0465
MACE2023.02		0.0507
Allegro2023.02		0.053

State-of-the-art paper

2F-Dis.

Is Distance Matrix Enough for Geometric Deep Learning?

Dataset

MD17

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Related benchmarks

Energy and Force Prediction on MD17 Force Prediction on MD17 azobenz. Revised Energy Prediction on MD17 benzene Revised Force Prediction on MD17 benzene Revised Force Prediction on MD17 ethanol Revised

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