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Molecular Energy Prediction on QM9

0.14MAEPhysNet-ens5
0.1080.3240.540.756Sep 29, 2017Dec 23, 2017Mar 18, 2018Jun 11, 2018Sep 4, 2018Nov 28, 2018Feb 22, 2019
Updated 8mo ago

Evaluation results

MethodLinks
PhysNet-ens5Training set size=110 4262019.020.14
PhysNet-ens5Training set size=100 0002019.020.14
PhysNetTraining set size=110 4262019.020.19
PhysNetTraining set size=100 0002019.020.19
PhysNet-ens5Training set size=50 0002019.020.24
HIP-NNN_train + N_validate=1104262017.090.256
HIP-NNTraining set size=110 4262019.020.26
HIP-NNTraining set size=100 0002019.020.26
PhysNetTraining set size=50 0002019.020.3
SchNetN_train + N_validate=1104262017.090.31
SchNetTraining set size=110 4262019.020.31
enn-s2s-ens5Training set size=110 4262019.020.33
SchNetTraining set size=100 0002019.020.34
HIP-NNTraining set size=50 0002019.020.35
MPNNN_train + N_validate=1104262017.090.42
SchNetTraining set size=50 0002019.020.49
DTNNN_train + N_validate=1104262017.090.84
DTNNTraining set size=100 0002019.020.84
DTNNTraining set size=50 0002019.020.94