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☆12Updated 3 weeks 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 3 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆17Updated last month
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆15Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 8 months ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆15Updated 5 months ago
- ☆27Updated last year
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 2 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆32Updated 2 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆22Updated 3 weeks ago
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- A toolkit for querying data in OQMD.☆17Updated 3 years ago
- Data-driven risk-conscious thermoelectric materials discovery☆15Updated last month
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Tutorials for using the pymatgen library☆31Updated last month
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆36Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 10 months ago
- Quick tools for materials chemistry☆15Updated 8 months ago
- Phonons from ML force fields☆17Updated last month
- The Element Movers Distance for chemical composition similarity☆33Updated 3 months ago
- A Benchmarking Framework for Crystal GNNs☆17Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated 3 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆12Updated 7 months ago
- Deep learning framework for atomistic image data☆31Updated 3 weeks ago
- LAMMPS plugin for AiiDA☆25Updated last week
- ☆11Updated 2 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆12Updated 3 years ago