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minor fix for
qm9_pretrained_schnet.py
(#7228)
``` root@9135585df2bb:/workspace# python3 examples/qm9_pretrained_schnet.py Traceback (most recent call last): File "examples/qm9_pretrained_schnet.py", line 17, in <module> dataset = QM9(osp.join()) TypeError: join() missing 1 required positional argument: 'a' ``` after this minor fix and pip installing ase and schnet==1.0.0 i get: ``` Traceback (most recent call last): File "examples/qm9_pretrained_schnet.py", line 22, in <module> model, datasets = SchNet.from_qm9_pretrained(path, dataset, target) File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/models/schnet.py", line 252, in from_qm9_pretrained net.readout = 'mean' if mean is True else 'add' File "/usr/local/lib/python3.8/dist-packages/torch/nn/modules/module.py", line 1685, in __setattr__ raise TypeError("cannot assign '{}' as child module '{}' " TypeError: cannot assign 'str' as child module 'readout' (torch.nn.Module or None expected) ``` if i set net.readout = None then it works and I get to the part of the schnet that relies on torch cluster (which i will eventually make a part of pyg-lib along with a bunch of other torch-* functionalities that are needed to be moved to pyg-lib) ``` File "examples/qm9_pretrained_schnet.py", line 32, in <module> pred = model(data.z, data.pos, data.batch) File "/usr/local/lib/python3.8/dist-packages/torch/nn/modules/module.py", line 1533, in _call_impl return forward_call(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/models/schnet.py", line 284, in forward edge_index, edge_weight = self.interaction_graph(pos, batch) File "/usr/local/lib/python3.8/dist-packages/torch/nn/modules/module.py", line 1533, in _call_impl return forward_call(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/models/schnet.py", line 352, in forward edge_index = radius_graph(pos, r=self.cutoff, batch=batch, File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/pool/__init__.py", line 210, in radius_graph return torch_cluster.radius_graph(x, r, batch, loop, max_num_neighbors, AttributeError: 'NoneType' object has no attribute 'radius_graph' ``` note that w/ schnet >= 2.0: ``` Traceback (most recent call last): File "examples/qm9_pretrained_schnet.py", line 22, in <module> model, datasets = SchNet.from_qm9_pretrained(path, dataset, target) File "/usr/local/lib/python3.8/dist-packages/torch_geometric/nn/models/schnet.py", line 219, in from_qm9_pretrained state = torch.load(path, map_location='cpu') File "/usr/local/lib/python3.8/dist-packages/torch/serialization.py", line 817, in load return _legacy_load(opened_file, map_location, pickle_module, **pickle_load_args) File "/usr/local/lib/python3.8/dist-packages/torch/serialization.py", line 1045, in _legacy_load result = unpickler.load() File "/usr/lib/python3.8/pickle.py", line 1212, in load dispatch[key[0]](self) File "/usr/lib/python3.8/pickle.py", line 1528, in load_global klass = self.find_class(module, name) File "/usr/local/lib/python3.8/dist-packages/torch/serialization.py", line 850, in find_class return super().find_class(mod_name, name) File "/usr/local/lib/python3.8/dist-packages/pytorch_lightning/_graveyard/legacy_import_unpickler.py", line 24, in find_class return super().find_class(new_module, name) File "/usr/lib/python3.8/pickle.py", line 1579, in find_class __import__(module, level=0) ModuleNotFoundError: No module named 'schnetpack.atomistic.model' ```
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