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Author:
MALA developers
License:
BSD 3-Clause License
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
...
Summary:
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
Latest version:
1.4.0
Required dependencies:
ase
|
mendeleev
|
meson
|
mpmath
|
ninja
|
numpy
|
openpmd-api
|
optuna
|
pandas
|
scikit-spatial
|
scipy
|
sympy
|
tensorboard
|
torch
|
tqdm
Optional dependencies:
asap3
|
bump2version
|
dftpy
|
docutils
|
minterpy
|
mpi4py
|
myst-parser
|
oapackage
|
pytest
|
pytest-cov
|
scikit-learn
|
sphinx
|
sphinx-copybutton
|
sphinx-markdown-tables
|
sphinx-rtd-theme
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