odysie / thermoelectricsdbLinks
☆16Updated 2 years ago
Alternatives and similar repositories for thermoelectricsdb
Users that are interested in thermoelectricsdb are comparing it to the libraries listed below
Sorting:
- Python package to interact with high-dimensional representations of the chemical elements☆43Updated this week
- ☆11Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆30Updated last year
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆100Updated this week
- ☆56Updated 4 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆54Updated 2 weeks ago
- ☆31Updated 3 years ago
- The Element Movers Distance for chemical composition similarity☆34Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆121Updated last week
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆69Updated 3 weeks ago
- Mirror of http://zeoplusplus.org/☆9Updated 7 years ago
- Heat capacity predictor for porous materials☆12Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated last year
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆87Updated last month
- ☆67Updated 2 years ago
- Tutorials for using the pymatgen library☆50Updated last month
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆38Updated last year
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/at…☆67Updated 3 weeks ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated 2 months ago
- An ecosystem for digital reticular chemistry☆48Updated 10 months ago
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 2 months ago
- ☆21Updated 4 years ago
- ☆17Updated 8 years ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆91Updated last week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆30Updated 10 months ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆64Updated this week