Pravanop / Perovskite-PredictionLinks
Predicting new perovskites with ensemble Machine Learning algorithms
☆16Updated 2 months ago
Alternatives and similar repositories for Perovskite-Prediction
Users that are interested in Perovskite-Prediction are comparing it to the libraries listed below
Sorting:
- Predict the band gap energy for inorganic materials☆19Updated last year
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆29Updated 7 years ago
- A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities E…☆22Updated 2 years ago
- Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX…☆28Updated 4 years ago
- Machine Learning for Catalysis☆20Updated 2 years ago
- Machine Learning for Catalyst Design and Discovery☆17Updated 6 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆11Updated 5 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Updated 2 years ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Updated last year
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Updated last year
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆43Updated 3 years ago
- A knowledge graph unifying computational and experimental data for MOFs☆41Updated 2 months ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆62Updated last year
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Updated 5 years ago
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆19Updated 3 years ago
- MatDesign: a programming-free AI platform to predict and design materials☆79Updated last month
- Predict materials properties using only the composition information!☆120Updated 2 years ago
- Scalable graph neural networks for materials property prediction☆63Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆21Updated 4 years ago
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆13Updated 2 years ago
- ☆30Updated 5 months ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Updated 3 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆100Updated 2 weeks ago
- ☆37Updated 4 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆85Updated 4 years ago
- Molecular graph deep sets learning for mixture property modeling.☆31Updated last year
- ☆41Updated 6 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆22Updated 5 years ago
- Tools for creating a MongoDB collection of ChemDataExtractor-snowball records☆14Updated 6 years ago