Update README.md
16f8a7a verified - configurations Add pre-trained CGSchNet model, protein configurations, and PDB structures
- structures Add pre-trained CGSchNet model, protein configurations, and PDB structures
- 1.52 kB initial commit
- 2.56 kB Update README.md
model_and_prior.pt Detected Pickle imports (35)
- "mlcg.nn.radial_basis.exp_normal.ExpNormalBasis",
- "torch.nn.modules.linear.Linear",
- "numpy.core.multiarray.scalar",
- "torch.Tensor",
- "torch.nn.modules.container.Sequential",
- "torch_geometric.nn.aggr.basic.SumAggregation",
- "__builtin__.set",
- "torch_geometric.nn.conv.utils.inspector.Inspector",
- "inspect.Parameter",
- "inspect._empty",
- "collections.OrderedDict",
- "torch.nn.modules.sparse.Embedding",
- "_operator.getitem",
- "_codecs.encode",
- "mlcg.nn.gradients.SumOut",
- "numpy.dtype",
- "__builtin__.long",
- "mlcg.nn.prior.Repulsion",
- "torch._utils._rebuild_tensor_v2",
- "mlcg.nn.schnet.InteractionBlock",
- "torch.nn.modules.activation.Tanh",
- "mlcg.nn.mlp.MLP",
- "torch._utils._rebuild_parameter",
- "inspect._ParameterKind",
- "typing.Union",
- "mlcg.nn.cutoff.CosineCutoff",
- "torch.nn.modules.container.ModuleDict",
- "mlcg.nn.prior.GeneralBonds",
- "torch.FloatStorage",
- "__builtin__.type",
- "mlcg.nn.schnet.CFConv",
- "mlcg.nn.prior.Dihedral",
- "mlcg.nn.gradients.GradientsOut",
- "mlcg.nn.prior.GeneralAngles",
- "mlcg.nn.schnet.StandardSchNet"
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387 MB Add pre-trained CGSchNet model, protein configurations, and PDB structures