| 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.eval('/home/apolyukhin/Development/epc_ml/example/diamond/2_training/hamiltonian/infer_sc/eval.ini') | |