Table 1 Dataset Description, including data type, number of tasks, task type, data size, and data split information for each dataset.
From: Geometry-aware lightweight convolutional network for efficient molecular property prediction
DATASET | DATA TYPE | Number of task | Task type | Number | Metric |
|---|---|---|---|---|---|
ESOL | SMILES | 1 | Regression | 1128 | RMSE |
FreeSolv | SMILES | 1 | Regression | 642 | RMSE |
Tox21 | SMILES | 12 | Classification | 7831 | ROC-AUC |
QM9 | 3D STRUCTURE | 10 | Regression | 129433 | MAE |
