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DeepQMC 1.3.0 documentation

  • Installation
  • Command-line interface
  • Tutorial
  • Examples
  • API
  • References
  • GitHub
  • Installation
  • Command-line interface
  • Tutorial
  • Examples
  • API
  • References
  • GitHub
  • Overview: module code

All modules for which code is available

  • deepqmc.app
  • deepqmc.ecp.gaussian_type_ecp
  • deepqmc.ecp.pseudo_hamiltonian
  • deepqmc.ewm
  • deepqmc.exceptions
  • deepqmc.force
  • deepqmc.geom.coordinate_transform
  • deepqmc.geom.internal_coord
  • deepqmc.geom.zmatrix.concrete
  • deepqmc.geom.zmatrix.stochastic
  • deepqmc.gnn.edge_features
  • deepqmc.gnn.electron_gnn
  • deepqmc.gnn.graph
  • deepqmc.gnn.update_features
  • deepqmc.gnn.utils
  • deepqmc.hamil
  • deepqmc.hkext
  • deepqmc.kfacext
  • deepqmc.log
  • deepqmc.loss.base
  • deepqmc.loss.clip
  • deepqmc.loss.energy
  • deepqmc.loss.loss_function
  • deepqmc.loss.overlap
  • deepqmc.loss.spin
  • deepqmc.molecule
  • deepqmc.observable
  • deepqmc.optimizer
  • deepqmc.oscillator_strength
  • deepqmc.parallel
  • deepqmc.physics
  • deepqmc.postprocess.ansatz_utils
  • deepqmc.postprocess.checkpoint_utils
  • deepqmc.postprocess.mc_utils
  • deepqmc.postprocess.workdir
  • deepqmc.pretrain.gto
  • deepqmc.pretrain.pretraining
  • deepqmc.pretrain.pyscfext
  • deepqmc.sampling.base
  • deepqmc.sampling.combined_samplers
  • deepqmc.sampling.electron_sample_initializers
  • deepqmc.sampling.electron_samplers
  • deepqmc.sampling.nuclei_samplers
  • deepqmc.sampling.sampling_utils
  • deepqmc.train
  • deepqmc.types
  • deepqmc.units
  • deepqmc.utils
  • deepqmc.wf.cusp
  • deepqmc.wf.env
  • deepqmc.wf.nn_wave_function
  • deepqmc.wf.omni

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