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
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆10Updated 4 years ago
- ☆27Updated last year
- 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 5 years ago
- Predict the band gap energy for inorganic materials☆19Updated 8 months 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
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆14Updated 4 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆53Updated 2 years ago
- Perovskite capping layer code☆15Updated 4 years ago
- ☆29Updated 3 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆38Updated last year
- ☆50Updated 3 years ago
- Heat capacity predictor for porous materials☆13Updated 7 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 2 years ago
- The Element Movers Distance for chemical composition similarity☆32Updated 2 months ago
- image-based generative model for inverse design of solid state materials☆39Updated 2 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆18Updated 5 years ago
- ☆40Updated 6 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆10Updated last month
- ☆26Updated 2 years ago
- Tool to quickly create a composition-based feature vector☆27Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆42Updated 7 months ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- ☆66Updated 3 years ago
- Generate random alloys and compute various properties☆48Updated last month
- Deep learning for crystal-structure recognition and analysis of atomic structures☆40Updated 11 months ago
- Representation Learning from Stoichiometry☆55Updated 2 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆27Updated 5 months ago