Representation Learning from Stoichiometry
☆61Dec 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predict materials properties using only the composition information!☆129Apr 23, 2023Updated 3 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- ☆26Nov 12, 2023Updated 2 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆87Dec 17, 2024Updated last year
- The Wren sits on its Roost in the Aviary.☆64Jul 6, 2026Updated 2 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- The Element Movers Distance for chemical composition similarity☆38Mar 21, 2025Updated last year
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- Machine learning model for crystal lattice constant prediction☆14Mar 17, 2021Updated 5 years ago
- A knowledge graph for Materials Science.☆77Nov 4, 2024Updated last year
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆883Sep 6, 2021Updated 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.
- A curated list of awesome resources on using machine learning and data science for discovery of physical laws☆40Jun 22, 2020Updated 6 years ago
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆559Apr 27, 2023Updated 3 years ago
- A random forest☆53Feb 18, 2025Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Python package to aid materials design and informatics☆135Updated this week
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 3 years ago
- 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
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated 2 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.
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 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 4 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆104Jan 13, 2026Updated 6 months ago
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆124Jun 7, 2021Updated 5 years ago
- ☆17Jan 30, 2022Updated 4 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 4 months ago
- An automatic engine for predicting materials properties.☆172Nov 12, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- MatDeepLearn, package for graph neural networks in materials chemistry☆205Mar 20, 2023Updated 3 years ago
- XenonPy is a Python Software for Materials Informatics☆158Jul 15, 2024Updated 2 years ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆332Apr 7, 2025Updated last year
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 8 months ago
- ☆14Apr 26, 2018Updated 8 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48May 15, 2023Updated 3 years ago