API Reference

This page contains auto-generated API reference documentation [1].

• core
  • core._cli
  • core._config
  • core.calculate
    • core.calculate.ase_calculator
    • core.calculate.pretrained_mlip
  • core.common
    • core.common.data_parallel
    • core.common.distutils
    • core.common.gp_utils
    • core.common.logger
    • core.common.profiler_utils
    • core.common.registry
    • core.common.test_utils
    • core.common.tutorial_utils
    • core.common.typing
    • core.common.utils
  • core.datasets
    • core.datasets._utils
    • core.datasets.ase_datasets
    • core.datasets.atomic_data
    • core.datasets.base_dataset
    • core.datasets.embeddings
      • core.datasets.embeddings.atomic_radii
      • core.datasets.embeddings.continuous_embeddings
      • core.datasets.embeddings.khot_embeddings
      • core.datasets.embeddings.qmof_khot_embeddings
    • core.datasets.mt_concat_dataset
    • core.datasets.target_metadata_guesser
  • core.models
    • core.models.base
    • core.models.uma
      • core.models.uma.common
        • core.models.uma.common.rotation
        • core.models.uma.common.rotation_cuda_graph
        • core.models.uma.common.sampling
        • core.models.uma.common.so3
      • core.models.uma.escn_md
      • core.models.uma.escn_md_block
      • core.models.uma.escn_moe
      • core.models.uma.nn
        • core.models.uma.nn.activation
        • core.models.uma.nn.dropout
        • core.models.uma.nn.embedding_dev
        • core.models.uma.nn.layer_norm
        • core.models.uma.nn.mole
        • core.models.uma.nn.mole_utils
        • core.models.uma.nn.radial
        • core.models.uma.nn.so2_layers
        • core.models.uma.nn.so3_layers
    • core.models.utils
      • core.models.utils.activations
      • core.models.utils.basis
      • core.models.utils.irreps
  • core.modules
    • core.modules.evaluator
    • core.modules.exponential_moving_average
    • core.modules.loss
    • core.modules.normalization
      • core.modules.normalization._load_utils
      • core.modules.normalization.element_references
      • core.modules.normalization.normalizer
    • core.modules.scaling
      • core.modules.scaling.compat
      • core.modules.scaling.fit
      • core.modules.scaling.scale_factor
      • core.modules.scaling.util
    • core.modules.scheduler
    • core.modules.transforms
  • core.scripts
    • core.scripts.convert_hydra_to_release
    • core.scripts.download_data
    • core.scripts.download_large_files
    • core.scripts.eqv2_to_hydra_eqv2
    • core.scripts.fit_normalizers
    • core.scripts.fit_references
    • core.scripts.gif_maker_parallelized
    • core.scripts.make_challenge_submission_file
    • core.scripts.make_lmdb_sizes
    • core.scripts.make_submission_file
    • core.scripts.migrate_checkpoint
    • core.scripts.migrate_imports
    • core.scripts.preprocess_ef
    • core.scripts.preprocess_relaxed
    • core.scripts.uncompress
  • core.units
    • core.units.mlip_unit
      • core.units.mlip_unit._metrics
      • core.units.mlip_unit.api
        • core.units.mlip_unit.api.inference
      • core.units.mlip_unit.mlip_unit

[1]

Created with sphinx-autoapi