hackingmaterials / matminer_examplesLinks
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
☆116Updated 4 years ago
Alternatives and similar repositories for matminer_examples
Users that are interested in matminer_examples are comparing it to the libraries listed below
Sorting:
- An automatic engine for predicting materials properties.☆163Updated last year
- Automatic generation of crystal structure descriptions.☆124Updated last week
- Python package to aid materials design and informatics☆121Updated 2 weeks ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆125Updated 2 weeks ago
- ☆70Updated 4 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆115Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆148Updated 3 months ago
- MatDeepLearn for DOS prediction☆24Updated 3 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆101Updated 6 years ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆90Updated 2 months ago
- A suite of computational materials science tools.☆140Updated last year
- Repository for links to software packages and databases used in deep-learning applications for materials science☆147Updated 4 months ago
- Matbench: Benchmarks for materials science property prediction☆166Updated last year
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated 2 weeks ago
- A toolkit for querying data in OQMD.☆20Updated 3 years ago
- General purpose tools for high-throughput catalysis☆96Updated 3 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Public repo for Materials API documentation☆142Updated 3 years ago
- Generating Deep Potential with Python☆69Updated last week
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Atomic interaction potentials based on artificial neural networks☆119Updated last month
- Python Materials Discovery Framework☆75Updated 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
- MODNet: a framework for machine learning materials properties☆96Updated 4 months ago
- Defect structure-searching employing chemically-guided bond distortions☆106Updated 3 weeks ago