From cbb42fab40f1e502315e5aceef642b41c5307a15 Mon Sep 17 00:00:00 2001 From: doublylinkedlist Date: Wed, 10 Apr 2024 15:04:39 -0500 Subject: [PATCH] Update cgcnn_inference.py --- mofa/scoring/cgcnn_inference.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mofa/scoring/cgcnn_inference.py b/mofa/scoring/cgcnn_inference.py index 8e6fae9d..191706ba 100644 --- a/mofa/scoring/cgcnn_inference.py +++ b/mofa/scoring/cgcnn_inference.py @@ -1,5 +1,3 @@ -import os -import ase from pymatgen.io.ase import AseAtomsAdaptor import torch.nn as nn import torch.distributed as dist @@ -9,7 +7,9 @@ from torch.nn.parallel import DistributedDataParallel from typing import Union from pathlib import Path -from models import cgcnn, CrystalGraphConvNet +from mofa.models.cgcnn import CrystalGraphConvNet +import os +import ase import abc import json import torch