KanHatakeyama / Integrating-multiple-materials-science-projects
☆14Updated 2 years ago
Alternatives and similar repositories for Integrating-multiple-materials-science-projects
Users that are interested in Integrating-multiple-materials-science-projects are comparing it to the libraries listed below
Sorting:
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆37Updated last year
- ☆32Updated 4 years ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆27Updated 8 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆18Updated last year
- ☆17Updated 7 years ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆13Updated 9 months ago
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆15Updated last month
- Heat capacity predictor for porous materials☆12Updated 11 months ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Updated last year
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆21Updated 2 years ago
- ☆20Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- ☆26Updated last year
- Deep learning for crystal-structure recognition and analysis of atomic structures☆41Updated last year
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆18Updated 8 months ago
- ☆16Updated last year
- predicting charges on MOF atoms via a message passing MOFs☆24Updated 4 years ago
- A one-stop-shop for handling data in computational spectroscopy☆16Updated 2 months ago
- Crystal Edge Graph Attention Neural Network☆21Updated 10 months ago
- A software for automating materials science computations☆30Updated 3 weeks ago
- Alchemical machine learning interatomic potentials☆28Updated 6 months ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆19Updated 4 years ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 11 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated 9 months ago
- LAMMPS plugin for AiiDA☆24Updated last week
- Materials Design by Monte Carlo Tree Search☆34Updated 3 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆17Updated 2 years ago