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Energy Prediction on MD17 Paracetamol Revised

Energy Prediction on MD17 Paracetamol Revised

0.03MAEMACE

Updated 8mo ago

Evaluation results

Method	Links
MACE2023.02		0.03
2F-Dis.2023.02		0.031
Allegro2023.02		0.0346

State-of-the-art paper

MACE

MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields

Dataset

MD17

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Related benchmarks

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

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