CHANGES.rst
LICENSE
MANIFEST.in
README.rst
pyproject.toml
requirements-ci.txt
requirements-dl.txt
requirements-optional.txt
requirements.txt
setup.cfg
setup.py
maml/__init__.py
maml.egg-info/PKG-INFO
maml.egg-info/SOURCES.txt
maml.egg-info/dependency_links.txt
maml.egg-info/namespace_packages.txt
maml.egg-info/requires.txt
maml.egg-info/top_level.txt
maml/apps/__init__.py
maml/apps/bowsr/__init__.py
maml/apps/bowsr/acquisition.py
maml/apps/bowsr/optimizer.py
maml/apps/bowsr/perturbation.py
maml/apps/bowsr/preprocessing.py
maml/apps/bowsr/target_space.py
maml/apps/bowsr/model/__init__.py
maml/apps/bowsr/model/base.py
maml/apps/bowsr/model/cgcnn.py
maml/apps/bowsr/model/dft.py
maml/apps/bowsr/model/megnet.py
maml/apps/bowsr/model/model_files/cgcnn/atom_init.json
maml/apps/bowsr/model/model_files/cgcnn/atom_init_embedded_formation-energy-per-atom.json
maml/apps/bowsr/model/model_files/megnet/formation_energy.hdf5
maml/apps/bowsr/model/model_files/megnet/formation_energy.hdf5.json
maml/apps/bowsr/regularization/elements.json
maml/apps/bowsr/symmetry_rules/perturbation_modes.json
maml/apps/bowsr/symmetry_rules/standard_modes.json
maml/apps/bowsr/symmetry_rules/wyckoff_dims.json
maml/apps/bowsr/symmetry_rules/wyckoff_nums.json
maml/apps/gbe/__init__.py
maml/apps/gbe/describer.py
maml/apps/gbe/presetfeatures.py
maml/apps/gbe/utils.py
maml/apps/gbe/data/gb_data.json
maml/apps/gbe/references/el2b0.json
maml/apps/gbe/references/mean_bl_chg_crystalnn.json
maml/apps/pes/__init__.py
maml/apps/pes/_base.py
maml/apps/pes/_gap.py
maml/apps/pes/_lammps.py
maml/apps/pes/_mtp.py
maml/apps/pes/_nnp.py
maml/apps/pes/_snap.py
maml/apps/pes/params/08g.mtp
maml/apps/pes/params/GAP.json
maml/apps/pes/params/MTini.json
maml/apps/pes/params/NNinput.json
maml/apps/pes/templates/defect/in.defect
maml/apps/pes/templates/efs/in.efs
maml/apps/pes/templates/elastic/displace.template
maml/apps/pes/templates/elastic/in.elastic
maml/apps/pes/templates/elastic/init.template
maml/apps/pes/templates/elastic/potential.template
maml/apps/pes/templates/neb/in.neb
maml/apps/pes/templates/neb/in.relax
maml/apps/pes/templates/relax/in.relax
maml/apps/pes/tests/MTP/fitted.mtp
maml/apps/symbolic/__init__.py
maml/apps/symbolic/_feature_generator.py
maml/apps/symbolic/_selectors.py
maml/apps/symbolic/_selectors_cvxpy.py
maml/apps/symbolic/_sis.py
maml/base/__init__.py
maml/base/_data.py
maml/base/_describer.py
maml/base/_feature_batch.py
maml/base/_mixin.py
maml/base/_model.py
maml/data/__init__.py
maml/data/_mp.py
maml/data/_url.py
maml/describers/__init__.py
maml/describers/_composition.py
maml/describers/_site.py
maml/describers/_spectrum.py
maml/describers/_structure.py
maml/describers/data/elemental_embedding_1MEGNet_layer.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_16.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_2.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_3.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_32.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_4.json
maml/describers/data/elemental_embedding_1MEGNet_layer_length_8.json
maml/describers/data/elemental_embedding_3MEGNet_layer.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_16.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_2.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_3.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_32.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_4.json
maml/describers/data/ion_embedding_1MEGNet_layer_length_8.json
maml/describers/data/megnet_models/formation_energy.hdf5
maml/describers/data/megnet_models/formation_energy.hdf5.json
maml/describers/matminer_wrapper/__init__.py
maml/describers/matminer_wrapper/_matminer_wrapper.py
maml/describers/megnet/__init__.py
maml/describers/megnet/_megnet.py
maml/describers/rdf/__init__.py
maml/describers/rdf/_rdf.py
maml/describers/tests/test_data/dummy_property.json
maml/describers/tests/test_data/wrong_dummy_property.json
maml/models/__init__.py
maml/models/dl/__init__.py
maml/models/dl/_atomsets.py
maml/models/dl/_keras_utils.py
maml/models/dl/_layers.py
maml/models/dl/_mlp.py
maml/utils/__init__.py
maml/utils/_data_conversion.py
maml/utils/_data_split.py
maml/utils/_dummy.py
maml/utils/_inspect.py
maml/utils/_jit.py
maml/utils/_lammps.py
maml/utils/_material.py
maml/utils/_preprocessing.py
maml/utils/_signal_processing.py
maml/utils/_stats.py
maml/utils/_tempfile.py
maml/utils/_typing.py
maml/utils/_value_profile.py