tensorial# tensorial package Subpackages tensorial.datasets package Submodules tensorial.datasets.qm9 module Module contents tensorial.gcnn package Subpackages Submodules tensorial.gcnn.calc module tensorial.gcnn.derivatives module tensorial.gcnn.keys module tensorial.gcnn.losses module tensorial.gcnn.metrics module tensorial.gcnn.random module tensorial.gcnn.typing module tensorial.gcnn.utils module Module contents tensorial.geometry package Submodules tensorial.geometry.distances module tensorial.geometry.jax_neighbours module tensorial.geometry.np_neighbours module tensorial.geometry.unit_cells module Module contents tensorial.metrics package Submodules tensorial.metrics.collections module tensorial.metrics.evaluator module tensorial.metrics.metric module Module contents tensorial.reaxkit package Subpackages Submodules tensorial.reaxkit.cli module tensorial.reaxkit.config module tensorial.reaxkit.evaluate module tensorial.reaxkit.from_data module tensorial.reaxkit.keys module tensorial.reaxkit.train module Module contents tensorial.signals package Submodules tensorial.signals.bases module tensorial.signals.expansion module tensorial.signals.functions module tensorial.signals.radials module Module contents tensorial.training package Module contents Submodules tensorial.base module Attr Attr.create_tensor() Attr.from_tensor() Attr.irreps IrrepsObj as_array() create() create_tensor() from_tensor() get() irreps() tensorial_attrs() tensorial.config module instantiate() tensorial.nn module Sequential Sequential.layers Sequential.name Sequential.parent Sequential.scope Sequential.setup() tensorial.nn_utils module get_jaxnn_activation() prepare_mask() vwhere() tensorial.tensors module AsIrreps AsIrreps.create_tensor() AsIrreps.from_tensor() CartesianTensor CartesianTensor.change_of_basis CartesianTensor.create_tensor() CartesianTensor.formula CartesianTensor.from_tensor() CartesianTensor.irreps_dict CartesianTensor.keep_ir NoOp NoOp.create_tensor() NoOp.from_tensor() OneHot OneHot.create_tensor() OneHot.num_classes SphericalHarmonic SphericalHarmonic.algorithm SphericalHarmonic.create_tensor() SphericalHarmonic.normalisation SphericalHarmonic.normalise tensorial.typing module tensorial.utils module infer_backend() ones() ones_like() zeros() zeros_like() Module contents AsIrreps AsIrreps.create_tensor() AsIrreps.from_tensor() Attr Attr.create_tensor() Attr.from_tensor() Attr.irreps CartesianTensor CartesianTensor.change_of_basis CartesianTensor.create_tensor() CartesianTensor.formula CartesianTensor.from_tensor() CartesianTensor.irreps_dict CartesianTensor.keep_ir IrrepsObj NoOp NoOp.create_tensor() NoOp.from_tensor() OneHot OneHot.create_tensor() OneHot.num_classes ReaxModule ReaxModule.calculate_metrics() ReaxModule.configure_model() ReaxModule.configure_optimizers() ReaxModule.debug ReaxModule.on_before_optimizer_step() ReaxModule.predict_step() ReaxModule.step() ReaxModule.test_step() ReaxModule.training_step() ReaxModule.validation_step() SphericalHarmonic SphericalHarmonic.algorithm SphericalHarmonic.create_tensor() SphericalHarmonic.normalisation SphericalHarmonic.normalise as_array() create() create_tensor() from_tensor() get() irreps() tensorial_attrs()