diff --git a/molgrad/train.py b/molgrad/train.py index 1b52d1b..d14c4cc 100644 --- a/molgrad/train.py +++ b/molgrad/train.py @@ -178,6 +178,7 @@ def metrics(ys, yhats, masks, task='regression', b_threshold=0.5): kf = KFold(n_splits=N_FOLDS, shuffle=True, random_state=SEED) for idx_split, (idx_train, idx_test) in enumerate(kf.split(inchis)): + print(f"Fold {idx_split}/{N_FOLDS}...") inchis_train, inchis_test = inchis[idx_train], inchis[idx_test] values_train, values_test = values[idx_train, :], values[idx_test, :] mask_train, mask_test = mask[idx_train, :], mask[idx_test, :]