LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements-ci.txt
requirements-dl.txt
requirements-optional.txt
requirements.txt
setup.cfg
src/maml/__init__.py
src/maml.egg-info/PKG-INFO
src/maml.egg-info/SOURCES.txt
src/maml.egg-info/dependency_links.txt
src/maml.egg-info/requires.txt
src/maml.egg-info/top_level.txt
src/maml/apps/__init__.py
src/maml/apps/bowsr/__init__.py
src/maml/apps/bowsr/acquisition.py
src/maml/apps/bowsr/optimizer.py
src/maml/apps/bowsr/perturbation.py
src/maml/apps/bowsr/preprocessing.py
src/maml/apps/bowsr/target_space.py
src/maml/apps/bowsr/model/__init__.py
src/maml/apps/bowsr/model/base.py
src/maml/apps/bowsr/model/cgcnn.py
src/maml/apps/bowsr/model/dft.py
src/maml/apps/bowsr/model/megnet.py
src/maml/apps/bowsr/model/tests/test_cgcnn.py
src/maml/apps/gbe/__init__.py
src/maml/apps/gbe/describer.py
src/maml/apps/gbe/presetfeatures.py
src/maml/apps/gbe/utils.py
src/maml/apps/pes/__init__.py
src/maml/apps/pes/_base.py
src/maml/apps/pes/_gap.py
src/maml/apps/pes/_lammps.py
src/maml/apps/pes/_mtp.py
src/maml/apps/pes/_nnp.py
src/maml/apps/pes/_snap.py
src/maml/apps/pes/params/08g.mtp
src/maml/apps/pes/params/GAP.json
src/maml/apps/pes/params/MTini.json
src/maml/apps/pes/params/NNinput.json
src/maml/apps/symbolic/__init__.py
src/maml/apps/symbolic/_feature_generator.py
src/maml/apps/symbolic/_selectors.py
src/maml/apps/symbolic/_selectors_cvxpy.py
src/maml/apps/symbolic/_sis.py
src/maml/base/__init__.py
src/maml/base/_data.py
src/maml/base/_describer.py
src/maml/base/_feature_batch.py
src/maml/base/_mixin.py
src/maml/base/_model.py
src/maml/data/__init__.py
src/maml/data/_mp.py
src/maml/data/_url.py
src/maml/describers/__init__.py
src/maml/describers/_composition.py
src/maml/describers/_m3gnet.py
src/maml/describers/_matminer.py
src/maml/describers/_megnet.py
src/maml/describers/_rdf.py
src/maml/describers/_site.py
src/maml/describers/_spectrum.py
src/maml/describers/_structure.py
src/maml/describers/data/elemental_embedding_1MEGNet_layer.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_16.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_2.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_3.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_32.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_4.json
src/maml/describers/data/elemental_embedding_1MEGNet_layer_length_8.json
src/maml/describers/data/elemental_embedding_3MEGNet_layer.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_16.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_2.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_3.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_32.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_4.json
src/maml/describers/data/ion_embedding_1MEGNet_layer_length_8.json
src/maml/describers/data/m3gnet_models/matbench_mp_e_form/0/m3gnet/checkpoint
src/maml/describers/data/m3gnet_models/matbench_mp_e_form/0/m3gnet/m3gnet.data-00000-of-00001
src/maml/describers/data/m3gnet_models/matbench_mp_e_form/0/m3gnet/m3gnet.index
src/maml/describers/data/m3gnet_models/matbench_mp_e_form/0/m3gnet/m3gnet.json
src/maml/describers/data/megnet_models/formation_energy.hdf5
src/maml/describers/data/megnet_models/formation_energy.hdf5.json
src/maml/models/__init__.py
src/maml/models/dl/__init__.py
src/maml/models/dl/_atomsets.py
src/maml/models/dl/_keras_utils.py
src/maml/models/dl/_layers.py
src/maml/models/dl/_mlp.py
src/maml/sampling/__init__.py
src/maml/sampling/clustering.py
src/maml/sampling/direct.py
src/maml/sampling/pca.py
src/maml/sampling/stratified_sampling.py
src/maml/utils/__init__.py
src/maml/utils/_data_conversion.py
src/maml/utils/_data_split.py
src/maml/utils/_dummy.py
src/maml/utils/_inspect.py
src/maml/utils/_jit.py
src/maml/utils/_lammps.py
src/maml/utils/_material.py
src/maml/utils/_preprocessing.py
src/maml/utils/_signal_processing.py
src/maml/utils/_stats.py
src/maml/utils/_tempfile.py
src/maml/utils/_typing.py
src/maml/utils/_value_profile.py