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7 search results found

Awesome Materials Informatics ⭐ 310

Curated list of known efforts in materials informatics = modern materials science

Shakenbreak ⭐ 63

Defect structure-searching employing chemically-guided bond distortions

Materials Design by Monte Carlo Tree Search

Pytopomat ⭐ 15

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.

Materials Designer ⭐ 9

A standalone React.js/Redux based web application for the design and visualization of atomistic materials structures. Used at Mat3ra.com and can be deployed in standalone mode.

Smact_workflows ⭐ 7

Computational experiments using SMACT for materials design

JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information

Materials Design in Javascript (made.js). A JavaScript (Node) library allowing for the creation and manipulation of material structures from atoms up on the web.

Optimade Client ⭐ 5

Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers

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