Chen-Cai-OSU / hea-mlLinks
Machine Learning for High Entropy Alloy
☆17Updated 5 years ago
Alternatives and similar repositories for hea-ml
Users that are interested in hea-ml are comparing it to the libraries listed below
Sorting:
- Generate random alloys and compute various properties☆66Updated this week
- LAMMPS interface for phonon calculations using phonopy☆90Updated 2 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64Updated 6 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Updated 3 years ago
- MatDeepLearn for DOS prediction☆26Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆129Updated this week
- The Materials Project Workshop Curriculum☆117Updated 2 years ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆83Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆112Updated 3 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆69Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Updated 2 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- Defect analysis modules for pymatgen☆61Updated this week
- Repository for links to software packages and databases used in deep-learning applications for materials science☆150Updated 8 months ago
- A Python library and command line interface for automated free energy calculations☆86Updated last month
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆133Updated 3 weeks ago
- A grain boundary generation code☆80Updated 2 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Updated 3 years ago
- Statistical Mechanics on Lattices☆92Updated this week
- ☆45Updated 7 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- FTCP code☆36Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- Phonon anharmonicity analysis from molecular dynamics☆136Updated 3 months ago
- This package provides the interface module between aenet [1] and LAMMPS [2], patch of aenet for the LAMMPS library, and Artificial Neural…☆22Updated 2 years ago