All modules for which code is available
- deepmd
- deepmd.backend
- deepmd.backend.backend
- deepmd.backend.dpmodel
- deepmd.backend.pytorch
- deepmd.backend.suffix
- deepmd.backend.tensorflow
- deepmd.calculator
- deepmd.common
- deepmd.dpmodel.atomic_model.base_atomic_model
- deepmd.dpmodel.atomic_model.dp_atomic_model
- deepmd.dpmodel.atomic_model.linear_atomic_model
- deepmd.dpmodel.atomic_model.make_base_atomic_model
- deepmd.dpmodel.atomic_model.pairtab_atomic_model
- deepmd.dpmodel.common
- deepmd.dpmodel.descriptor.base_descriptor
- deepmd.dpmodel.descriptor.dpa1
- deepmd.dpmodel.descriptor.hybrid
- deepmd.dpmodel.descriptor.make_base_descriptor
- deepmd.dpmodel.descriptor.se_e2_a
- deepmd.dpmodel.descriptor.se_r
- deepmd.dpmodel.fitting.base_fitting
- deepmd.dpmodel.fitting.dipole_fitting
- deepmd.dpmodel.fitting.dos_fitting
- deepmd.dpmodel.fitting.ener_fitting
- deepmd.dpmodel.fitting.general_fitting
- deepmd.dpmodel.fitting.invar_fitting
- deepmd.dpmodel.fitting.make_base_fitting
- deepmd.dpmodel.fitting.polarizability_fitting
- deepmd.dpmodel.infer.deep_eval
- deepmd.dpmodel.model.base_model
- deepmd.dpmodel.model.dp_model
- deepmd.dpmodel.model.ener_model
- deepmd.dpmodel.model.make_model
- deepmd.dpmodel.model.model
- deepmd.dpmodel.model.spin_model
- deepmd.dpmodel.model.transform_output
- deepmd.dpmodel.output_def
- deepmd.dpmodel.utils.batch_size
- deepmd.dpmodel.utils.env_mat
- deepmd.dpmodel.utils.exclude_mask
- deepmd.dpmodel.utils.neighbor_stat
- deepmd.dpmodel.utils.network
- deepmd.dpmodel.utils.nlist
- deepmd.dpmodel.utils.region
- deepmd.dpmodel.utils.serialization
- deepmd.dpmodel.utils.type_embed
- deepmd.dpmodel.utils.update_sel
- deepmd.driver
- deepmd.entrypoints.convert_backend
- deepmd.entrypoints.doc
- deepmd.entrypoints.gui
- deepmd.entrypoints.main
- deepmd.entrypoints.neighbor_stat
- deepmd.entrypoints.test
- deepmd.env
- deepmd.infer
- deepmd.infer.deep_dipole
- deepmd.infer.deep_dos
- deepmd.infer.deep_eval
- deepmd.infer.deep_polar
- deepmd.infer.deep_pot
- deepmd.infer.deep_tensor
- deepmd.infer.deep_wfc
- deepmd.infer.model_devi
- deepmd.loggers.loggers
- deepmd.loggers.training
- deepmd.main
- deepmd.pt.cxx_op
- deepmd.pt.entrypoints.main
- deepmd.pt.infer.deep_eval
- deepmd.pt.infer.inference
- deepmd.pt.loss.denoise
- deepmd.pt.loss.dos
- deepmd.pt.loss.ener
- deepmd.pt.loss.ener_spin
- deepmd.pt.loss.loss
- deepmd.pt.loss.tensor
- deepmd.pt.model.atomic_model.base_atomic_model
- deepmd.pt.model.atomic_model.dipole_atomic_model
- deepmd.pt.model.atomic_model.dos_atomic_model
- deepmd.pt.model.atomic_model.dp_atomic_model
- deepmd.pt.model.atomic_model.energy_atomic_model
- deepmd.pt.model.atomic_model.linear_atomic_model
- deepmd.pt.model.atomic_model.pairtab_atomic_model
- deepmd.pt.model.atomic_model.polar_atomic_model
- deepmd.pt.model.backbone.backbone
- deepmd.pt.model.backbone.evoformer2b
- deepmd.pt.model.descriptor.base_descriptor
- deepmd.pt.model.descriptor.descriptor
- deepmd.pt.model.descriptor.dpa1
- deepmd.pt.model.descriptor.dpa2
- deepmd.pt.model.descriptor.env_mat
- deepmd.pt.model.descriptor.gaussian_lcc
- deepmd.pt.model.descriptor.hybrid
- deepmd.pt.model.descriptor.repformer_layer
- deepmd.pt.model.descriptor.repformers
- deepmd.pt.model.descriptor.se_a
- deepmd.pt.model.descriptor.se_atten
- deepmd.pt.model.descriptor.se_r
- deepmd.pt.model.model
- deepmd.pt.model.model.dipole_model
- deepmd.pt.model.model.dos_model
- deepmd.pt.model.model.dp_model
- deepmd.pt.model.model.dp_zbl_model
- deepmd.pt.model.model.ener_model
- deepmd.pt.model.model.frozen
- deepmd.pt.model.model.make_hessian_model
- deepmd.pt.model.model.make_model
- deepmd.pt.model.model.model
- deepmd.pt.model.model.polar_model
- deepmd.pt.model.model.spin_model
- deepmd.pt.model.model.transform_output
- deepmd.pt.model.network.layernorm
- deepmd.pt.model.network.mlp
- deepmd.pt.model.network.network
- deepmd.pt.model.task.atten_lcc
- deepmd.pt.model.task.base_fitting
- deepmd.pt.model.task.denoise
- deepmd.pt.model.task.dipole
- deepmd.pt.model.task.dos
- deepmd.pt.model.task.ener
- deepmd.pt.model.task.fitting
- deepmd.pt.model.task.invar_fitting
- deepmd.pt.model.task.polarizability
- deepmd.pt.model.task.type_predict
- deepmd.pt.optimizer.KFWrapper
- deepmd.pt.optimizer.LKF
- deepmd.pt.train.training
- deepmd.pt.train.wrapper
- deepmd.pt.utils.auto_batch_size
- deepmd.pt.utils.cache
- deepmd.pt.utils.dataloader
- deepmd.pt.utils.dataset
- deepmd.pt.utils.env
- deepmd.pt.utils.env_mat_stat
- deepmd.pt.utils.exclude_mask
- deepmd.pt.utils.finetune
- deepmd.pt.utils.learning_rate
- deepmd.pt.utils.multi_task
- deepmd.pt.utils.neighbor_stat
- deepmd.pt.utils.nlist
- deepmd.pt.utils.preprocess
- deepmd.pt.utils.region
- deepmd.pt.utils.serialization
- deepmd.pt.utils.stat
- deepmd.pt.utils.update_sel
- deepmd.pt.utils.utils
- deepmd.tf.__about__
- deepmd.tf.cluster
- deepmd.tf.common
- deepmd.tf.descriptor.descriptor
- deepmd.tf.descriptor.hybrid
- deepmd.tf.descriptor.loc_frame
- deepmd.tf.descriptor.se
- deepmd.tf.descriptor.se_a
- deepmd.tf.descriptor.se_a_ebd
- deepmd.tf.descriptor.se_a_ebd_v2
- deepmd.tf.descriptor.se_a_ef
- deepmd.tf.descriptor.se_a_mask
- deepmd.tf.descriptor.se_atten
- deepmd.tf.descriptor.se_atten_v2
- deepmd.tf.descriptor.se_r
- deepmd.tf.descriptor.se_t
- deepmd.tf.entrypoints.compress
- deepmd.tf.entrypoints.convert
- deepmd.tf.entrypoints.freeze
- deepmd.tf.entrypoints.ipi
- deepmd.tf.entrypoints.main
- deepmd.tf.entrypoints.train
- deepmd.tf.entrypoints.transfer
- deepmd.tf.env
- deepmd.tf.fit.dipole
- deepmd.tf.fit.dos
- deepmd.tf.fit.ener
- deepmd.tf.fit.fitting
- deepmd.tf.fit.polar
- deepmd.tf.infer.data_modifier
- deepmd.tf.infer.deep_eval
- deepmd.tf.infer.deep_tensor
- deepmd.tf.infer.ewald_recp
- deepmd.tf.lmp
- deepmd.tf.loss.dos
- deepmd.tf.loss.ener
- deepmd.tf.loss.loss
- deepmd.tf.loss.tensor
- deepmd.tf.model.dos
- deepmd.tf.model.ener
- deepmd.tf.model.frozen
- deepmd.tf.model.linear
- deepmd.tf.model.model
- deepmd.tf.model.multi
- deepmd.tf.model.pairtab
- deepmd.tf.model.pairwise_dprc
- deepmd.tf.model.tensor
- deepmd.tf.nvnmd.data.data
- deepmd.tf.nvnmd.descriptor.se_a
- deepmd.tf.nvnmd.descriptor.se_atten
- deepmd.tf.nvnmd.entrypoints.freeze
- deepmd.tf.nvnmd.entrypoints.mapt
- deepmd.tf.nvnmd.entrypoints.train
- deepmd.tf.nvnmd.entrypoints.wrap
- deepmd.tf.nvnmd.utils.config
- deepmd.tf.nvnmd.utils.encode
- deepmd.tf.nvnmd.utils.fio
- deepmd.tf.nvnmd.utils.network
- deepmd.tf.nvnmd.utils.op
- deepmd.tf.nvnmd.utils.weight
- deepmd.tf.op
- deepmd.tf.op._add_flt_nvnmd_grad
- deepmd.tf.op._copy_flt_nvnmd_grad
- deepmd.tf.op._dotmul_flt_nvnmd_grad
- deepmd.tf.op._flt_nvnmd_grad
- deepmd.tf.op._gelu
- deepmd.tf.op._map_flt_nvnmd_grad
- deepmd.tf.op._matmul_fitnet_nvnmd_grad
- deepmd.tf.op._matmul_flt2fix_nvnmd
- deepmd.tf.op._matmul_flt_nvnmd_grad
- deepmd.tf.op._mul_flt_nvnmd_grad
- deepmd.tf.op._prod_force_grad
- deepmd.tf.op._prod_force_se_a_grad
- deepmd.tf.op._prod_force_se_a_mask_grad
- deepmd.tf.op._prod_force_se_r_grad
- deepmd.tf.op._prod_virial_grad
- deepmd.tf.op._prod_virial_se_a_grad
- deepmd.tf.op._prod_virial_se_r_grad
- deepmd.tf.op._quantize_nvnmd_grad
- deepmd.tf.op._soft_min_force_grad
- deepmd.tf.op._soft_min_virial_grad
- deepmd.tf.op._tabulate_grad
- deepmd.tf.op._tanh4_flt_nvnmd_grad
- deepmd.tf.train.run_options
- deepmd.tf.train.trainer
- deepmd.tf.utils.batch_size
- deepmd.tf.utils.compress
- deepmd.tf.utils.convert
- deepmd.tf.utils.errors
- deepmd.tf.utils.finetune
- deepmd.tf.utils.graph
- deepmd.tf.utils.learning_rate
- deepmd.tf.utils.multi_init
- deepmd.tf.utils.neighbor_stat
- deepmd.tf.utils.network
- deepmd.tf.utils.nlist
- deepmd.tf.utils.parallel_op
- deepmd.tf.utils.region
- deepmd.tf.utils.serialization
- deepmd.tf.utils.sess
- deepmd.tf.utils.spin
- deepmd.tf.utils.tabulate
- deepmd.tf.utils.type_embed
- deepmd.tf.utils.update_sel
- deepmd.utils.argcheck
- deepmd.utils.argcheck_nvnmd
- deepmd.utils.batch_size
- deepmd.utils.compat
- deepmd.utils.data
- deepmd.utils.data_system
- deepmd.utils.econf_embd
- deepmd.utils.env_mat_stat
- deepmd.utils.errors
- deepmd.utils.finetune
- deepmd.utils.hostlist
- deepmd.utils.model_stat
- deepmd.utils.neighbor_stat
- deepmd.utils.out_stat
- deepmd.utils.pair_tab
- deepmd.utils.path
- deepmd.utils.plugin
- deepmd.utils.random
- deepmd.utils.spin
- deepmd.utils.summary
- deepmd.utils.update_sel
- deepmd.utils.version
- deepmd.utils.weight_avg