Kaaiian / CBFVLinks
Tool to quickly create a composition-based feature vector
☆28Updated 3 years ago
Alternatives and similar repositories for CBFV
Users that are interested in CBFV are comparing it to the libraries listed below
Sorting:
- scripts to load all data from ICSD, Materials Project, and OQMD☆67Updated 3 years ago
- Things that you should (and should not) do in your Materials Informatics research.☆194Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 4 months ago
- ☆26Updated last year
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆97Updated 3 weeks ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆36Updated 7 months ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated 2 weeks ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- Tutorials for using the pymatgen library☆61Updated 5 months ago
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- Automatic generation of crystal structure descriptions.☆125Updated 2 weeks ago
- ☆72Updated 4 years ago
- ☆70Updated 6 months ago
- ☆64Updated 4 years ago
- Heat capacity predictor for porous materials☆12Updated last year
- ☆56Updated last year
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Updated 11 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 9 months ago
- Defect structure-searching employing chemically-guided bond distortions☆108Updated 3 weeks ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated 2 months ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆129Updated last week
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆93Updated 4 months ago
- Code to help you get started using machine learning in materials science☆18Updated 6 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 4 months ago
- Python package to analyse the structural dynamics of perovskites☆46Updated 2 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆86Updated last month