ziyuanrao11 / Machine-learning-enabled-high-entropy-alloy-discoveryLinks
This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'
☆75Updated last year
Alternatives and similar repositories for Machine-learning-enabled-high-entropy-alloy-discovery
Users that are interested in Machine-learning-enabled-high-entropy-alloy-discovery are comparing it to the libraries listed below
Sorting:
- Repository for links to software packages and databases used in deep-learning applications for materials science☆147Updated 4 months ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆58Updated last year
- Generate random alloys and compute various properties☆59Updated 9 months ago
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆60Updated 2 months ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- ☆104Updated last month
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- MatDeepLearn for DOS prediction☆24Updated 3 years ago
- ASE interface for fully constant potential with VASP☆36Updated 11 months ago
- ☆50Updated 11 months ago
- Modules for cross validation, evaluation and plot of SISSO☆16Updated 5 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆36Updated 3 years ago
- High-throughput calculation framework for VASP☆25Updated last month
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆28Updated 7 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- ☆62Updated 5 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆19Updated 3 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆43Updated 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…☆74Updated last year
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆30Updated 2 months ago
- ☆60Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- MatDesign: a programming-free AI platform to predict and design materials☆72Updated 2 months ago
- ☆61Updated 4 years ago
- Automatic generation of crystal structure descriptions.☆124Updated last week
- ☆29Updated 3 years ago