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d975267 | 1 2 3 4 5 6 7 8 9 10 11 12 13 | import sys, torch
torch.serialization.add_safe_globals([slice])
try:
from torch_geometric.data.data import DataEdgeAttr, DataTensorAttr
from torch_geometric.data.storage import GlobalStorage
torch.serialization.add_safe_globals([DataEdgeAttr, DataTensorAttr, GlobalStorage])
except ImportError:
pass
sys.path.insert(0, '/home/apolyukhin/Development/DeepH-E3')
from deephe3 import DeepHE3Kernel
kernel = DeepHE3Kernel()
kernel.train('/home/apolyukhin/Development/epc_ml/example/diamond/2_training/hamiltonian/train.ini')
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