sparks-baird / CrabNet
Predict materials properties using only the composition information!
☆16Updated 7 months ago
Alternatives and similar repositories for CrabNet:
Users that are interested in CrabNet are comparing it to the libraries listed below
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated last month
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated 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…☆17Updated 5 months ago
- ☆26Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 10 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated 8 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆11Updated 3 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 9 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Updated 2 years ago
- A tool for calculating distortion parameters in coordination complexes.☆16Updated last year
- The Element Movers Distance for chemical composition similarity☆34Updated last month
- ☆15Updated 2 years ago
- Reproduction of CGCNN with fine-tuning for predicting material properties☆12Updated this week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆12Updated 5 months ago
- ☆25Updated 5 months ago
- ☆20Updated last year
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆13Updated 2 months ago
- Quick tools for materials chemistry☆17Updated 10 months ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last year
- Random symmetric initialization of crystals☆21Updated 7 years ago
- 2017-09-26 Linux source.☆13Updated 3 years ago
- Tools for machine learnt interatomic potentials☆26Updated last week
- The latest stable release for the crystal structure prediction code FUSE☆12Updated 2 months ago
- Python interface for the zeo++ package☆9Updated 8 months ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆19Updated 4 months ago
- Data-driven risk-conscious thermoelectric materials discovery☆16Updated 2 weeks ago