mala-project repositories

8 repositories

malada
Public
MALA Data Acquisition: Helpful tools to build data for MALA.
Python
•
BSD 3-Clause "New" or "Revised" License
•2•1•17•0•Updated Aug 20, 2026Aug 20, 2026
mala
Public
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
machine-learning dft neural-network
machine-learning dft neural-network density-functional-theory electronic-structure
Python
•
BSD 3-Clause "New" or "Revised" License
•27•101•28•2•Updated Jan 5, 2026Jan 5, 2026
aiida-mala
Public
AiiDA plugin for MALA
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•0•0•Updated May 26, 2025May 26, 2025
test-data
Public
Test data for MALA.
Python
•
BSD 3-Clause "New" or "Revised" License
•1•1•1•0•Updated May 16, 2025May 16, 2025
lammps
Public
Public development project of the LAMMPS MD software package
C++
•
GNU General Public License v2.0
•2k•0•0•3•Updated May 8, 2025May 8, 2025
malaWeb
Public
Web app to visualize on-the-fly MALA predictions.
Python
•
BSD 3-Clause "New" or "Revised" License
•0•2•7•1•Updated Jul 15, 2024Jul 15, 2024
mala_tutorial
Public
A full MALA hands-on tutorial.
Jupyter Notebook
•1•2•0•0•Updated Nov 28, 2023Nov 28, 2023
mcmala
Public
Monte-Carlo frontend for MALA.
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•3•0•Updated May 16, 2023May 16, 2023

ProTip! When viewing an organization's repositories, you can use the props. filter to filter by custom property.