From c87668a51c31eb0b5689f8d7ba44528e488c2233 Mon Sep 17 00:00:00 2001 From: rush42 Date: Mon, 23 Feb 2026 13:08:55 +0100 Subject: [PATCH] bug-fix: fallback to empty dict when `metrics=None` in `ModelOutput` --- src/schnetpack/task.py | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/src/schnetpack/task.py b/src/schnetpack/task.py index 5524831d3..6f0b520d8 100644 --- a/src/schnetpack/task.py +++ b/src/schnetpack/task.py @@ -46,9 +46,13 @@ def __init__( self.target_property = target_property or name self.loss_fn = loss_fn self.loss_weight = loss_weight - self.train_metrics = nn.ModuleDict(metrics) - self.val_metrics = nn.ModuleDict({k: v.clone() for k, v in metrics.items()}) - self.test_metrics = nn.ModuleDict({k: v.clone() for k, v in metrics.items()}) + self.train_metrics = nn.ModuleDict(metrics or {}) + self.val_metrics = nn.ModuleDict( + {k: v.clone() for k, v in self.train_metrics.items()} + ) + self.test_metrics = nn.ModuleDict( + {k: v.clone() for k, v in self.train_metrics.items()} + ) self.metrics = { "train": self.train_metrics, "val": self.val_metrics,