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Merge pull request #147 from mala-project/improve_and_fix_readme
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Fix Steve's affiliation and make Contributing a link
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RandomDefaultUser authored Jun 11, 2021
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MALA (Materials Learning Algorithms) is a data-driven framework to generate surrogate models of density functional theory calculations based on machine learning. Its purpose is to enable multiscale modeling by bypassing computationally expensive steps in state-of-the-art density functional simulations.

MALA is designed as a modular and open-source python package. It enables users to perform the entire modeling toolchain using only a few lines of code. MALA is jointly developed by the Sandia National Laboratories (SNL) and the Center for Advanced Systems Understanding (CASUS). See Contributing.md for contributing code to the repository.
MALA is designed as a modular and open-source python package. It enables users to perform the entire modeling toolchain using only a few lines of code. MALA is jointly developed by the Sandia National Laboratories (SNL) and the Center for Advanced Systems Understanding (CASUS). See [Contributing](docs/source/CONTRIBUTE.md) for contributing code to the repository.

This repository is structured as follows:
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- Lenz Fiedler (CASUS)
- Austin Ellis (ORNL*)
- Normand Modine (SNL)
- Steve Schmerler (CASUS)
- Steve Schmerler (HZDR)
- Daniel Kotik (CASUS)
- Gabriel Popoola (SNL)
- Aidan Thompson (SNL)
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