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Projects in Awesome Lists tagged with materials-design

A curated list of projects in awesome lists tagged with materials-design .

https://github.com/lukasturcani/stk

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

cheminformatics chemistry computational-chemistry computational-science materials-design materials-discoveries materials-science materials-screening molecular-evolution molecular-modeling molecular-structures reactions

Last synced: 05 Aug 2024

https://github.com/WMD-group/CarrierCapture.jl

Julia package to compute trap-assisted electron and hole capture in semiconductors

defects electronic-structure materials-design semiconductors solar-cells

Last synced: 03 Aug 2024

https://github.com/LiUSemWeb/Materials-Design-Ontology

An Ontology for the Materials Design Domain

database materials-design materials-science ontology optimade

Last synced: 01 Aug 2024

https://github.com/Exabyte-io/esse

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

density-functional-theory digital-transformation machine-learning materials materials-design materials-genome materials-informatics materials-science simulation-modeling

Last synced: 03 Aug 2024