chenebuah / perovskite-MLLinks
Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX3 and A2BB’X6
☆24Updated 3 years ago
Alternatives and similar repositories for perovskite-ML
Users that are interested in perovskite-ML are comparing it to the libraries listed below
Sorting:
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆28Updated 7 years ago
- ☆39Updated 6 years ago
- ☆70Updated 4 years ago
- Predict the band gap energy for inorganic materials☆19Updated last year
- Deep learning for crystal-structure recognition and analysis of atomic structures☆43Updated last year
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆28Updated 5 years ago
- Generating Deep Potential with Python☆69Updated this week
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Updated 5 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆36Updated 3 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆91Updated 2 months ago
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆125Updated 5 months ago
- Generate random alloys and compute various properties☆59Updated 9 months ago
- Data Science for Materials Science☆64Updated this week
- A Python library and command line interface for automated free energy calculations☆82Updated this week
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆14Updated 4 years ago
- Some examples of using pymatgen code☆23Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- The course materials for "Machine Learning in Chemistry 101"☆81Updated 4 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- General purpose tools for high-throughput catalysis☆96Updated 4 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆59Updated 2 months ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- A Python library for building atomic neural networks☆117Updated 5 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆29Updated 3 years ago
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆31Updated last year
- Python library written in C++ for calculation of local atomic structural environment☆67Updated last year
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago