truptimohanty / Nballoy_BO
Machine learning guided optimal composition selection for high strength Niobium alloy
☆11Updated last year
Alternatives and similar repositories for Nballoy_BO:
Users that are interested in Nballoy_BO are comparing it to the libraries listed below
- The latest stable release for the crystal structure prediction code FUSE☆11Updated 3 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆17Updated 2 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆15Updated 4 months ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆16Updated this week
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆15Updated this week
- Data-driven risk-conscious thermoelectric materials discovery☆15Updated 2 weeks ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 2 years ago
- Phonons from ML force fields☆17Updated 2 weeks ago
- Software for evaluating pareto-optimal synthesis pathways☆26Updated 7 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆22Updated last month
- ☆27Updated last year
- Random symmetric initialization of crystals☆20Updated 7 years ago
- Tutorials for using the pymatgen library☆26Updated last week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆32Updated 2 months ago
- ☆15Updated 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.☆35Updated last year
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated this week
- A Benchmarking Framework for Crystal GNNs☆17Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- ☆11Updated 2 years ago
- Quick tools for materials chemistry☆15Updated 7 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆12Updated 2 months ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆23Updated last year
- Some ongoing projects in Zhu's group☆27Updated 9 months ago
- ☆20Updated last year
- Python interface for the zeo++ package☆9Updated 5 months ago