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 7 years ago
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆22Jun 7, 2019Updated 6 years ago
- ☆70Mar 20, 2026Updated last month
- Perovskite capping layer code☆14Jun 22, 2020Updated 5 years ago
- A toolkit for querying data in OQMD.☆23Jan 2, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆29Nov 13, 2019Updated 6 years ago
- A data processing and machine learning project for prediction of the bandgap of HOIPs.☆12Jan 6, 2020Updated 6 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆11May 14, 2020Updated 5 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…☆22Mar 30, 2022Updated 4 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆112Sep 3, 2019Updated 6 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Jun 18, 2023Updated 2 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
- 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.
- 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.☆144Apr 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
- Optical Modeling (Transfer Matrix): Modeling the light propogation, light absorption, transmission, and reflection in a multi-layer thin-…☆49May 22, 2018Updated 7 years ago
- Supervised Regression using SVR and Neural Networks for Early Prediction of End-of-Life in Lithium-ion Batteries☆12Dec 24, 2023Updated 2 years ago
- Python Implementation of a simplified version of STICS crop model☆16Sep 12, 2024Updated last year
- 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
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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 4 months ago
- ChemDataExtractor 2.1 that has been modified for extracting properties of molecular thermally-activated delayed fluorescent (TADF) materi…☆13May 23, 2025Updated 11 months ago
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- Public repo for Materials API documentation☆144Aug 20, 2022Updated 3 years ago
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆128Oct 10, 2025Updated 6 months 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
- A simple blender add-on to summon lightning☆12May 2, 2021Updated 5 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 5 years ago
- ☆12Apr 18, 2023Updated 3 years ago
- ☆11Feb 11, 2023Updated 3 years ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆33May 5, 2022Updated 4 years ago
- Make machine learning simpler with Galaxy☆12Jul 16, 2024Updated last year
- Chinese-Mistral: An Efficient and Effective Chinese Large Language Model☆32Jun 22, 2025Updated 10 months ago
- Python code for the simulation of Cu2ZnSnS4/CdS thin film solar cells with the aim of optimising efficiency by varying layer depths and d…☆10Jul 25, 2020Updated 5 years ago