Paper | Code | MAE | ModelName | ReleaseDate |
---|---|---|---|---|
OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | ✓ Link | 0.03433 | CGNN Full Ensemble | 2022-09-30 |
OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | ✓ Link | 0.03658 | CGNN Trio Ensemble | 2022-09-30 |
OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | ✓ Link | 0.04249 ± 0.00037 | CGNN | 2022-09-30 |
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions | ✓ Link | 0.31 | SchNet | 2017-06-26 |