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Energy Prediction on MD17 toluene Revised

Energy Prediction on MD17 toluene Revised

0.0051MAE2F-Dis.

Updated 8mo ago

Evaluation results

Method	Links
2F-Dis.2023.02		0.0051
Allegro2023.02		0.0092
MACE2023.02		0.0115

State-of-the-art paper

2F-Dis.

Is Distance Matrix Enough for Geometric Deep Learning?

Dataset

MD17

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