utils

Utility functions and classes.

Modules

`coeffs_to_grid`
`conversions`
`counter_file`
`create_custom_splits`
`create_dataset_splits`	These scripts are not super tidy, but they only need to be reproducible.
`create_subset`
`cube_files`
`download`
`draw_molecule`
`einsum`	Wrapper for einsums intended to supply the fastest einsum implementation and perform the required type conversions.
`environ`
`grids`	Provides helper functions for setting up grids for numerical calculations.
`instantiators`
`local_frames`
`log_utils`
`lr_scheduling`	Helper functions for configuring learning rate scheduling using Hydra.
`molecules`	Utilities for working with molecules.
`multiprocess`
`omegaconf_resolvers`	OmegaConf resolvers for the mldft package.
`overlap_matrices`
`pdf_utils`
`plotting`
`pyscf_pretty_print`
`rich_utils`
`sad_guesser`
`sparse`
`utils`
`visualize_3d`