All modules for which code is available
- xnn.cnn.featurizers.spherical
- xnn.cnn.featurizers.voxel
- xnn.cnn.models.base
- xnn.cnn.models.cnn3d
- xnn.cnn.models.spherical
- xnn.cnn.models.steerable
- xnn.common.benchmark.config
- xnn.common.benchmark.energy
- xnn.common.benchmark.metrics
- xnn.common.benchmark.report
- xnn.common.benchmark.runner
- xnn.common.cli.main
- xnn.common.config.coerce
- xnn.common.config.loaders
- xnn.common.config.schema
- xnn.common.config.translate
- xnn.common.data.ase_io
- xnn.common.data.atomic_data
- xnn.common.data.dataset
- xnn.common.data.elements
- xnn.common.data.hub.ani1
- xnn.common.data.hub.ani1ccx
- xnn.common.data.hub.ani1x
- xnn.common.data.hub.ani2x
- xnn.common.data.hub.argon_md
- xnn.common.data.hub.base
- xnn.common.data.hub.ethanol_response
- xnn.common.data.hub.hdnnp4g
- xnn.common.data.hub.lode_dimers
- xnn.common.data.hub.qm7
- xnn.common.data.hub.rmd17
- xnn.common.data.hub.spookynet_states
- xnn.common.data.neighborlist
- xnn.common.data.runner_io
- xnn.common.deploy.ase_calculator
- xnn.common.deploy.lammps
- xnn.common.deploy.mdi_engine
- xnn.common.deploy.torchscript
- xnn.common.distributed
- xnn.common.featurizers.base
- xnn.common.featurizers.cutoff
- xnn.common.featurizers.radial
- xnn.common.finetune.freeze
- xnn.common.finetune.heads
- xnn.common.finetune.lora
- xnn.common.finetune.reference
- xnn.common.finetune.replay
- xnn.common.models.base
- xnn.common.models.charge_solve
- xnn.common.models.d3
- xnn.common.models.d4
- xnn.common.models.dispersion
- xnn.common.models.dispersion_fast.atm
- xnn.common.models.dispersion_fast.coulomb
- xnn.common.models.dispersion_fast.eeq
- xnn.common.models.eeq
- xnn.common.models.electrostatics
- xnn.common.models.fast
- xnn.common.models.hub.cache
- xnn.common.models.hub.card
- xnn.common.models.hub.checkpoint
- xnn.common.models.hub.cli
- xnn.common.models.hub.formats
- xnn.common.models.hub.loader
- xnn.common.models.hub.registry
- xnn.common.models.hub.zenodo
- xnn.common.models.les
- xnn.common.models.ops
- xnn.common.models.outputs
- xnn.common.models.pme
- xnn.common.models.reciprocal
- xnn.common.models.recompute
- xnn.common.models.registry
- xnn.common.train.callbacks
- xnn.common.train.loggers
- xnn.common.train.losses
- xnn.common.train.trainer
- xnn.dnn.common.runner
- xnn.dnn.featurizers.acsf
- xnn.dnn.featurizers.aev
- xnn.dnn.featurizers.symmetry_functions
- xnn.dnn.models.ani
- xnn.dnn.models.base
- xnn.dnn.models.hdnnp
- xnn.dnn.models.physnet
- xnn.ffnn.common.frc
- xnn.ffnn.common.typing
- xnn.ffnn.models.dreiding
- xnn.ffnn.models.dreidinglib
- xnn.ffnn.models.ffield
- xnn.ffnn.models.geometry
- xnn.ffnn.models.opls
- xnn.ffnn.models.oplslib
- xnn.ffnn.models.reaxff
- xnn.ffnn.models.topology
- xnn.gnn.constants
- xnn.gnn.fast.conv
- xnn.gnn.fast.symmetric_contraction
- xnn.gnn.featurizers.cartesian
- xnn.gnn.featurizers.cutoff
- xnn.gnn.featurizers.radial
- xnn.gnn.featurizers.spherical
- xnn.gnn.featurizers.spherical_bessel
- xnn.gnn.models.aimnet2
- xnn.gnn.models.aimnet2_foundation
- xnn.gnn.models.allegro
- xnn.gnn.models.base
- xnn.gnn.models.blocks
- xnn.gnn.models.cace
- xnn.gnn.models.dimenet
- xnn.gnn.models.gemnet
- xnn.gnn.models.mace
- xnn.gnn.models.mace_foundation
- xnn.gnn.models.nequip
- xnn.gnn.models.painn
- xnn.gnn.models.schnet
- xnn.hybrid.featurizers.radial
- xnn.hybrid.models.bamboo
- xnn.hybrid.models.dispersion
- xnn.hybrid.models.spookynet
- xnn.transformer.attention
- xnn.transformer.featurizers.radial