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sciai-lab
/
structures25
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SciAI Lab (Hamprecht Lab)
7
License:
cc0-1.0
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structures25
/
trained-on-qm9
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This model has 2 files scanned as unsafe.
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splines-ai
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hparams.yaml
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hparams_resolved.yaml
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trained-on-qm9.ckpt
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pickle
Detected Pickle imports (70)
"__builtin__.long"
,
"numpy.core.multiarray.scalar"
,
"typing.OrderedDict"
,
"_codecs.encode"
,
"tensorframes.reps.irreps.IrrepsTransform"
,
"mldft.ml.models.components.initial_guess_delta_module.InitialGuessDeltaModule"
,
"torch._utils._rebuild_parameter"
,
"__builtin__.list"
,
"e3nn.o3._irreps.Irreps"
,
"torch_geometric.nn.norm.layer_norm.LayerNorm"
,
"torch.nn.modules.activation.GELU"
,
"numpy.core.multiarray._reconstruct"
,
"omegaconf.listconfig.ListConfig"
,
"__builtin__.type"
,
"mldft.ml.models.components.dimension_wise_rescaling.DimensionWiseRescaling"
,
"mldft.ml.models.components.sample_weighers.HasEnergyLabelSampleWeigher"
,
"mldft.ml.data.components.basis_info.BasisInfo"
,
"typing.Any"
,
"mldft.ml.models.components.node_embedding.NodeEmbedding"
,
"mldft.ml.models.components.density_coeff_embedding.AtomHotEmbedding"
,
"torch.optim.lr_scheduler.CosineAnnealingLR"
,
"numpy.dtype"
,
"mldft.ml.models.components.loss_function.EnergyLoss"
,
"tensorframes.reps.irreps.Irreps"
,
"omegaconf.base.ContainerMetadata"
,
"mldft.ml.models.components.g3d_layer_tf.G3DLayerTF"
,
"mldft.ml.models.components.loss_function.WeightedLoss"
,
"omegaconf.nodes.AnyNode"
,
"__builtin__.set"
,
"numpy.ndarray"
,
"e3nn.o3._irreps._MulIr"
,
"torch_geometric.inspector.Signature"
,
"mldft.ml.models.components.gbf_module.GaussianLayer"
,
"omegaconf.base.Metadata"
,
"torch.nn.modules.loss.L1Loss"
,
"torch.nn.modules.dropout.Dropout"
,
"torch.nn.modules.container.ModuleDict"
,
"torch.BoolStorage"
,
"mldft.ml.models.components.mlp.MLP"
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"torch.FloatStorage"
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"torch._utils._rebuild_tensor_v2"
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"__builtin__.getattr"
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"torch.LongStorage"
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"mldft.ml.models.components.graphformer.Graphformer"
,
"torch_geometric.inspector.Inspector"
,
"tensorframes.lframes.lframes.LFrames"
,
"torch.Tensor"
,
"torch.nn.modules.container.ModuleList"
,
"torch.nn.modules.activation.SiLU"
,
"mldft.ml.models.components.shrink_gate_module.PerBasisFuncShrinkGateModule"
,
"torch.optim.adamw.AdamW"
,
"collections.OrderedDict"
,
"_operator.getitem"
,
"mldft.ml.models.components.g3d_stack.G3DStack"
,
"mldft.ml.models.components.atom_ref.AtomRef"
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"typing.Union"
,
"torch.DoubleStorage"
,
"mldft.ml.models.components.loss_function.CoefficientLoss"
,
"e3nn.o3._irreps.Irrep"
,
"torch_geometric.inspector.Parameter"
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"mldft.ml.models.components.loss_function.EnergyGradientLoss"
,
"torch.nn.modules.linear.Linear"
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"torch.nn.modules.sparse.Embedding"
,
"torch_geometric.nn.aggr.basic.SumAggregation"
,
"functools.partial"
,
"__builtin__.dict"
,
"tensorframes.reps.irreps.Irrep"
,
"collections.defaultdict"
,
"tensorframes.reps.irreps._IrMulRep"
,
"inspect._empty"
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225 MB
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Upload Structures25 models
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