Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX3 and A2BB’X6
☆28Jan 11, 2022Updated 4 years ago
Alternatives and similar repositories for perovskite-ML
Users that are interested in perovskite-ML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆30May 15, 2018Updated 8 years ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 6 months ago
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆22Jun 7, 2019Updated 6 years ago
- ☆73Mar 20, 2026Updated 2 months ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A data processing and machine learning project for prediction of the bandgap of HOIPs.☆12Jan 6, 2020Updated 6 years ago
- Predict the band gap energy for inorganic materials☆20Apr 21, 2024Updated 2 years ago
- This is a code and data repository to conduct Bayesian Optimization with knowledge constraints for manufacturing process of perovskite so…☆23Mar 30, 2022Updated 4 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆113Sep 3, 2019Updated 6 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Jun 18, 2023Updated 2 years ago
- Probabilistic machine learning for reconstruction and parametrization of electronic band sturcture from photoemission spectroscopy data☆14May 19, 2026Updated last week
- Monte Carlo codes to simulate polar domains in hybrid perovskite solar cells☆16May 24, 2019Updated 7 years ago
- Computational chemistry with free and open source software☆18Feb 2, 2022Updated 4 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Feb 16, 2022Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- A suite of computational materials science tools.☆145Apr 3, 2024Updated 2 years ago
- Querying databases, Organizing and Plotting Data: Query Pymatgen for properties like Young's modulus and melting temperature Organize dat…☆16Aug 18, 2021Updated 4 years ago
- ☆10Dec 12, 2023Updated 2 years ago
- Optical Modeling (Transfer Matrix): Modeling the light propogation, light absorption, transmission, and reflection in a multi-layer thin-…☆49May 22, 2018Updated 8 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- Python Implementation of a simplified version of STICS crop model☆16Sep 12, 2024Updated last year
- Codes to generate a bandgap database using ChemDataExtractor.☆10Jun 4, 2025Updated 11 months ago
- Official code for AL-PINNS: Augmented Lagrangian relaxation method for Physics-Informed Neural Networks☆12Jul 29, 2023Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- ☆18Sep 12, 2023Updated 2 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- Self-driving laboratory for accelerated discovery of thin-film materials - data repository☆23Dec 22, 2025Updated 5 months ago
- ChemDataExtractor 2.1 that has been modified for extracting properties of molecular thermally-activated delayed fluorescent (TADF) materi…☆13May 23, 2025Updated last year
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- "Lithium-Ion Battery Life Prediction Based on Initial Stage-Cycles Using Machine Learning"--PCA Model☆11Jan 19, 2020Updated 6 years ago
- Public repo for Materials API documentation☆144Aug 20, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆128Oct 10, 2025Updated 7 months ago
- Organic Electronic Device Simulator☆15Dec 14, 2019Updated 6 years ago
- A free and fast perovskite solar cell simulator with coupled ion vacancy and charge carrier dynamics in one dimension. Read the Wiki to f…☆48Aug 10, 2023Updated 2 years ago
- Classical Carleman solution of the viscous Burgers equation, used in https://arxiv.org/abs/2011.03185.☆12Mar 1, 2021Updated 5 years ago
- Implementation of a quantum neural network using Strawberry Fields and TensorFlow☆11May 9, 2019Updated 7 years ago
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 5 years ago
- ☆12Apr 18, 2023Updated 3 years ago