uw-cmg / perovskite-oxide-stability-prediction
code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite compounds
☆25Updated 6 years ago
Alternatives and similar repositories for perovskite-oxide-stability-prediction:
Users that are interested in perovskite-oxide-stability-prediction are comparing it to the libraries listed below
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆27Updated 5 years ago
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆22Updated 3 years ago
- ☆36Updated 6 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆10Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆16Updated 3 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆40Updated 2 years ago
- Heat capacity predictor for porous materials☆13Updated 8 months ago
- An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordin…☆9Updated last month
- Perovskite capping layer code☆15Updated 4 years ago
- ☆26Updated 2 years ago
- ☆51Updated 3 years ago
- ☆29Updated 3 years ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆14Updated 4 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Predict the band gap energy for inorganic materials☆19Updated 10 months ago
- ☆27Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆53Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆33Updated 3 months ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated last year
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- Python library for the construction of porous materials using topology and building blocks.☆62Updated last month
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆12Updated 7 months ago
- ☆41Updated 6 years ago
- Code to help you get started using machine learning in materials science☆17Updated 5 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆17Updated last month
- Tool to quickly create a composition-based feature vector☆27Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆39Updated 3 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆13Updated 5 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆45Updated last month