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Search results for python materials discoveries

materials-discoveries x

4 search results found

Awesome Materials Informatics ⭐ 310

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

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Matbench Discovery ⭐ 52

An evaluation framework for machine learning models simulating high-throughput materials discovery.

Representation Learning from Stoichiometry

High Entropy Alloys ⭐ 35

Generate random alloys and compute various properties

The Wren sits on its Roost in the Aviary.

Mat_discover ⭐ 27

A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

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.

Data-driven risk-conscious thermoelectric materials discovery

This Material Does Not Exist ⭐ 5

Vote on whether you think predicted crystal structures could be synthesised

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