Predict the band gap energy for inorganic materials
☆19Apr 21, 2024Updated last year
Alternatives and similar repositories for BandGapPredictor
Users that are interested in BandGapPredictor are comparing it to the libraries listed below
Sorting:
- A data processing and machine learning project for prediction of the bandgap of HOIPs.☆12Jan 6, 2020Updated 6 years ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 4 months ago
- Tutorial for performing machine learning to predict band gaps from the K computer double perovskite dataset☆22Jun 7, 2019Updated 6 years ago
- A library to align rigid molecules and clusters☆12Updated this week
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆28Jan 11, 2022Updated 4 years ago
- 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
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆11Aug 5, 2024Updated last year
- Image Analysis of Particles for particle spacing and and size distributions☆11Sep 29, 2018Updated 7 years ago
- A Finite Element Approximation of a Cahn--Hilliard Tumour Model with FEniCS, by Dennis Trautwein (2020).☆10Oct 11, 2020Updated 5 years ago
- 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 python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆11Oct 2, 2025Updated 5 months ago
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Aug 29, 2020Updated 5 years ago
- Symbolic Regression from Scratch with Python☆13Dec 6, 2022Updated 3 years ago
- High-throughput droplet microfluidic devices with fluorescence detection systems provide several advantages over conventional end-point c…☆12Mar 6, 2019Updated 7 years ago
- mirrored from https://gitlab.com/ccp5/dl-poly/☆10Jan 27, 2026Updated last month
- Codes to generate a bandgap database using ChemDataExtractor.☆10Jun 4, 2025Updated 9 months ago
- Deep Learning And Applied Artificial Intelligence Project 2019/2020 - Molecular Synthesis & Reconstruction☆13Aug 31, 2021Updated 4 years ago
- Markov State Models on the Muller potential: a MSMBuilder Tutorial☆12Mar 18, 2013Updated 12 years ago
- Code associated with blog☆11Jun 16, 2020Updated 5 years ago
- A Repository to Train a Custom Yolov4 based object detector for road damage detection using the RDD2020 dataset☆14Mar 8, 2022Updated 4 years ago
- Python package for analyzing and representing droplets and emulsions☆12Dec 15, 2025Updated 2 months ago
- Codata constants for Fortran, C and Python.☆10Updated this week
- Fortran bindings to the FLANN library for performing fast approximate nearest neighbor searches in high dimensional spaces.☆15Jun 29, 2025Updated 8 months ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- A finite element method implementation in Matlab to solve the Gray-Scott reaction-diffusion equation on the surface of a sphere.☆17Mar 23, 2023Updated 2 years ago
- A free, open-source tool for modeling chemical reaction networks in Python☆13Feb 19, 2026Updated 2 weeks ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- Kinetic Monte Carlo simulator for polymerization reactions☆12Dec 30, 2016Updated 9 years ago
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated 6 months ago
- A monte carlo simulation for the performance of composite laminate plates with stochastic material properties.☆13Apr 2, 2020Updated 5 years ago
- Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR☆16Feb 25, 2026Updated last week
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆11May 14, 2020Updated 5 years ago
- Python software for laboratory instruments control and automation.☆10Nov 6, 2025Updated 4 months ago
- Python and C++ library to process both experimental and simulation data of colloidal particles.☆15Sep 2, 2021Updated 4 years ago
- 采用STM32F407控制RFID、AS608、电容触摸屏、模拟舵机、esp8266、语音模块、按键等,利用Python实现上位机编程,MySQL存储信息存储☆12Mar 5, 2020Updated 6 years ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 5 years ago
- ☆14May 6, 2022Updated 3 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Jan 27, 2022Updated 4 years ago