From 749327386a6e34d79ae39e0474036aa09fdbba02 Mon Sep 17 00:00:00 2001 From: Nikhil Shenoy Date: Sat, 6 Apr 2024 01:21:56 +0000 Subject: [PATCH] removed stale stats in dummy interaction --- openqdc/datasets/interaction/dummy.py | 20 -------------------- 1 file changed, 20 deletions(-) diff --git a/openqdc/datasets/interaction/dummy.py b/openqdc/datasets/interaction/dummy.py index 71bf5ee..085b732 100644 --- a/openqdc/datasets/interaction/dummy.py +++ b/openqdc/datasets/interaction/dummy.py @@ -2,7 +2,6 @@ from openqdc.datasets.interaction.base import BaseInteractionDataset from openqdc.methods import InteractionMethod -from openqdc.utils.constants import NOT_DEFINED class DummyInteraction(BaseInteractionDataset): @@ -27,25 +26,6 @@ def _post_init(self, overwrite_local_cache, energy_unit, distance_unit) -> None: self.setup_dummy() return super()._post_init(overwrite_local_cache, energy_unit, distance_unit) - @property - def _stats(self): - return { - "formation": { - "energy": { - "mean": np.array([[-12.94348027, -9.83037297]]), - "std": np.array([[4.39971409, 3.3574188]]), - }, - "forces": NOT_DEFINED, - }, - "total": { - "energy": { - "mean": np.array([[-89.44242, -1740.5336]]), - "std": np.array([[29.599571, 791.48663]]), - }, - "forces": NOT_DEFINED, - }, - } - def setup_dummy(self): n_atoms = np.array([np.random.randint(10, 30) for _ in range(len(self))]) n_atoms_first = np.array([np.random.randint(1, 10) for _ in range(len(self))])