add somecomments

2024-06-08 21:35:35 +02:00
parent 2c00828630
commit 4f8945ca07
6 changed files with 72 additions and 3 deletions
--- a/graph_dit/main.py
+++ b/graph_dit/main.py
@@ -82,6 +82,7 @@ def main(cfg: DictConfig):
    dataset_infos = dataset.DataInfos(datamodule=datamodule, cfg=cfg)
    train_smiles, reference_smiles = datamodule.get_train_smiles()

+    # get input output dimensions
    dataset_infos.compute_input_output_dims(datamodule=datamodule)
    train_metrics = TrainMolecularMetricsDiscrete(dataset_infos)