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:
- Things that you should (and should not) do in your Materials Informatics research.☆196Updated 2 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆68Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆36Updated 9 months ago
- ☆26Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆111Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆77Updated last week
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Updated 5 months ago
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 7 months ago
- Heat capacity predictor for porous materials☆13Updated last year
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆101Updated 2 months ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- ☆16Updated 3 years ago
- Tutorials for using the pymatgen library☆62Updated 7 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆91Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆126Updated 2 weeks ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- Code for automated fitting of machine learned interatomic potentials.☆133Updated 2 weeks ago
- A python library for calculating materials properties from the PES☆129Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆132Updated last week
- ☆72Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆157Updated last month
- ☆73Updated 8 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- ☆45Updated 7 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated 4 months ago
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- ☆112Updated 4 months ago
- ☆66Updated 4 years ago