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mala-project

Repositories for the Materials Learning Algorithms (MALA) - source code, data, additional info.

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mala mala Public

Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.

Python 77 24

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Showing 7 of 7 repositories

mala Public
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.

Python 77 BSD-3-Clause 24 27 (2 issues need help) 4 Updated May 12, 2024
lammps Public Forked from lammps/lammps
Public development project of the LAMMPS MD software package

C++ 0 GPL-2.0 1,659 0 2 Updated May 9, 2024
test-data Public
Test data for MALA.

Python 1 BSD-3-Clause 0 2 0 Updated Mar 11, 2024
malaWeb Public
Web app to visualize on-the-fly MALA predictions.

Python 2 0 6 0 Updated Jan 26, 2024
mala_tutorial Public
A full MALA hands-on tutorial.

Jupyter Notebook 2 0 0 0 Updated Nov 28, 2023
malada Public
MALA Data Acquisition: Helpful tools to build data for MALA.

Python 1 BSD-3-Clause 1 17 0 Updated May 24, 2023
mcmala Public
Monte-Carlo frontend for MALA.

Python 0 BSD-3-Clause 0 3 0 Updated May 16, 2023

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