Machine Learning Package Targeted for Amorphous Materials.
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Feb 19, 2021 - Python
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amorphous-materials
Here are 7 public repositories matching this topic...
Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
chemistry computational-chemistry computational-physics materials-science atomistic-simulations amorphous-materials atomic-simulation-environment atomistic-modelling atomic-simulation
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Nov 28, 2023 - Julia
Workflows for computing glass properties at the atomic level
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May 27, 2026 - Jupyter Notebook
Density of states-based kinetic Monte-Carlo simulation of variable-range hopping in amorphous solids
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May 16, 2025 - C++
Structures obtained in the PRB article "NMR, x-ray and Mössbauer results for amorphous Li-Si alloys using density functional tight-binding method"
molecular-dynamics nmr nearest-neighbors x-ray amorphous-materials lithium-ion-batteries mossbauer atomic-structures
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Dec 11, 2023
A Python package for amorphous structure generation by melt-quench simulation and random placement.
python machine-learning materials molecular-dynamics computational-chemistry materials-science mace semiconductor ase amorphous amorphous-materials chgnet melt-quench ramdom-structure-generation
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May 16, 2026 - Jupyter Notebook
This repository was made as a complement for the amorph repository (A program build for analysing X-Ray Diffraction in amorphous materials). It takes the posterior_sample.txt that amorph generates, and build an HDF5 file for easier access to the data.
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Sep 16, 2025 - Python
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