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
☆27Updated 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
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆14Updated 4 years ago
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆23Updated 3 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆10Updated 4 years ago
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆28Updated 5 years ago
- ☆37Updated 6 years ago
- ☆26Updated last year
- Predict the band gap energy for inorganic materials☆19Updated last year
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆18Updated 3 years ago
- Code to help you get started using machine learning in materials science☆17Updated 6 years ago
- Perovskite capping layer code☆15Updated 4 years ago
- ☆53Updated 4 years ago
- Crystal Graph Convolutional Neural Networks tutorial☆24Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆34Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆52Updated last month
- ☆30Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆56Updated 2 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆11Updated 7 months ago
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆7Updated 2 years ago
- Heat capacity predictor for porous materials☆12Updated 10 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated 2 weeks ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆39Updated this week
- ☆16Updated 3 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆28Updated 3 years ago
- Mirror of http://zeoplusplus.org/☆9Updated 7 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆40Updated last year
- An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordin…☆9Updated last week