blaiszik / Materials-DatabasesLinks
☆92Updated 10 years ago
Alternatives and similar repositories for Materials-Databases
Users that are interested in Materials-Databases are comparing it to the libraries listed below
Sorting:
- Python package to aid materials design and informatics☆118Updated this week
- General purpose tools for high-throughput catalysis☆95Updated 2 months ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆113Updated last year
- Automatic generation of crystal structure descriptions.☆123Updated 2 weeks ago
- ☆70Updated 4 years ago
- A suite of computational materials science tools.☆138Updated last year
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- An automatic engine for predicting materials properties.☆160Updated last year
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆106Updated 10 months ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆90Updated 3 weeks ago
- Data Science for Materials Science☆64Updated this week
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆113Updated last year
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆65Updated 7 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- ☆21Updated 4 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆123Updated this week
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆155Updated last month
- A Python library and command line interface for automated free energy calculations☆81Updated last week
- Atomic interaction potentials based on artificial neural networks☆119Updated 3 months ago
- Things that you should (and should not) do in your Materials Informatics research.☆191Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Statistical Mechanics on Lattices☆82Updated this week
- Python Materials Discovery Framework☆75Updated last year