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Benchmarks
Molecular Property Prediction on MD17 Aspirin 1k (train)
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0.19
Force MAE
NEQUIP
0.17764
0.26107
0.3445
0.42793
May 28, 2022
Force MAE
Energy MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
Force MAE
Energy MAE
NEQUIP
Number of parameters=3...
2022.05
0.19
0.13
GEMNETQ
Number of parameters=2...
2022.05
0.217
-
SO3KRATES
Number of parameters=7...
2022.05
0.236
0.139
SPOOKYNET
Number of parameters=3...
2022.05
0.258
0.151
NEWTONNET
Number of parameters=5...
2022.05
0.348
0.168
PAINN
Number of parameters=6...
2022.05
0.371
0.159
DIMENET
Number of parameters=1...
2022.05
0.499
0.204
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