Getting Started:
User Guide:
Examples:
API Documentation:
hippynn
hippynn.custom_kernels
hippynn.custom_kernels.autograd_wrapper
hippynn.custom_kernels.env_pytorch
hippynn.custom_kernels.env_sparse
hippynn.custom_kernels.fast_convert
hippynn.custom_kernels.registry
hippynn.custom_kernels.tensor_wrapper
hippynn.custom_kernels.utils
hippynn.databases
hippynn.databases.database
hippynn.databases.h5_pyanitools
hippynn.databases.ondisk
hippynn.databases.restarter
hippynn.databases.SNAPJson
hippynn.experiment
hippynn.experiment.assembly
hippynn.experiment.controllers
hippynn.experiment.device
hippynn.experiment.evaluator
hippynn.experiment.lightning_trainer
hippynn.experiment.metric_tracker
hippynn.experiment.routines
hippynn.experiment.serialization
hippynn.experiment.step_functions
hippynn.graphs
hippynn.graphs.ensemble
hippynn.graphs.gops
hippynn.graphs.graph
hippynn.graphs.indextransformers
hippynn.graphs.indextransformers.atoms
hippynn.graphs.indextransformers.pairs
hippynn.graphs.indextransformers.tensors
hippynn.graphs.indextypes
hippynn.graphs.indextypes.reduce_funcs
hippynn.graphs.indextypes.registry
hippynn.graphs.indextypes.type_def
hippynn.graphs.nodes
hippynn.graphs.nodes.base
hippynn.graphs.nodes.base.algebra
hippynn.graphs.nodes.base.base
hippynn.graphs.nodes.base.definition_helpers
hippynn.graphs.nodes.base.multi
hippynn.graphs.nodes.base.node_functions
hippynn.graphs.nodes.excited
hippynn.graphs.nodes.indexers
hippynn.graphs.nodes.inputs
hippynn.graphs.nodes.loss
hippynn.graphs.nodes.misc
hippynn.graphs.nodes.networks
hippynn.graphs.nodes.pairs
hippynn.graphs.nodes.physics
hippynn.graphs.nodes.tags
hippynn.graphs.nodes.targets
hippynn.graphs.predictor
hippynn.graphs.viz
hippynn.interfaces
hippynn.interfaces.ase_interface
hippynn.interfaces.ase_interface.ase_database
hippynn.interfaces.ase_interface.ase_unittests
hippynn.interfaces.ase_interface.calculator
hippynn.interfaces.ase_interface.pairfinder
hippynn.interfaces.lammps_interface
hippynn.interfaces.lammps_interface.mliap_interface
hippynn.interfaces.pyseqm_interface
hippynn.interfaces.pyseqm_interface.callback
hippynn.interfaces.pyseqm_interface.check
hippynn.interfaces.pyseqm_interface.gen_par
hippynn.interfaces.pyseqm_interface.mlseqm
hippynn.interfaces.pyseqm_interface.seqm_modules
hippynn.interfaces.pyseqm_interface.seqm_nodes
hippynn.interfaces.pyseqm_interface.seqm_one
hippynn.interfaces.schnetpack_interface
hippynn.layers
hippynn.layers.algebra
hippynn.layers.excited
hippynn.layers.hiplayers
hippynn.layers.indexers
hippynn.layers.pairs
hippynn.layers.pairs.analysis
hippynn.layers.pairs.dispatch
hippynn.layers.pairs.filters
hippynn.layers.pairs.indexing
hippynn.layers.pairs.open
hippynn.layers.pairs.periodic
hippynn.layers.physics
hippynn.layers.regularization
hippynn.layers.targets
hippynn.layers.transform
hippynn.molecular_dynamics
hippynn.molecular_dynamics.md
hippynn.networks
hippynn.networks.hipnn
hippynn.optimizer
hippynn.optimizer.algorithms
hippynn.optimizer.batch_optimizer
hippynn.optimizer.utils
hippynn.plotting
hippynn.plotting.plotmaker
hippynn.plotting.plotters
hippynn.plotting.timeplots
hippynn.pretraining
hippynn.tools