Representation Learning from Stoichiometry
☆60Dec 12, 2022Updated 3 years ago
Alternatives and similar repositories for roost
Users that are interested in roost are comparing it to the libraries listed below
Sorting:
- Predict materials properties using only the composition information!☆120Apr 23, 2023Updated 2 years ago
- ☆26Nov 12, 2023Updated 2 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated last year
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Dec 17, 2024Updated last year
- The Element Movers Distance for chemical composition similarity☆37Mar 21, 2025Updated 11 months ago
- Generative deep learning model for inorganic materials☆19Mar 24, 2023Updated 2 years ago
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated last month
- 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
- A knowledge graph for Materials Science.☆75Nov 4, 2024Updated last year
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆68May 3, 2024Updated last year
- MODNet: a framework for machine learning materials properties☆104May 2, 2025Updated 9 months ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 4 years ago
- ☆16Jan 30, 2022Updated 4 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆101Jan 13, 2026Updated last month
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 2 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆551Apr 27, 2023Updated 2 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆201Mar 20, 2023Updated 2 years ago
- An automatic engine for predicting materials properties.☆169Nov 12, 2023Updated 2 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Aug 19, 2024Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆822Sep 6, 2021Updated 4 years ago
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- A random forest☆48Feb 18, 2025Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆42Feb 18, 2022Updated 4 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 3 months ago
- ☆23Jul 23, 2019Updated 6 years ago
- Matbench: Benchmarks for materials science property prediction☆189Aug 20, 2024Updated last year
- Python package to aid materials design and informatics☆129Updated this week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆311Apr 7, 2025Updated 10 months ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- ☆14Apr 26, 2018Updated 7 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- XenonPy is a Python Software for Materials Informatics☆149Jul 15, 2024Updated last year