Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with materials-screening
A curated list of projects in awesome lists tagged with materials-screening .
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/anthony-wang/CrabNet
Predict materials properties using only the composition information!
attention attention-mechanism machine-learning materials-informatics materials-science materials-screening neural-networks predict-materials-properties pytorch scikit-learn self-attention transformer
Last synced: 03 Aug 2024
https://github.com/sparks-baird/mat_discover
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
adaptive-design bayesian-optimization crabnet earth-mover-distance earth-movers-distance machine-learning matdiscover materials-discoveries materials-discovery materials-informatics materials-project materials-science materials-screening numba predict-materials-properties python pytorch wasserstein wasserstein-distance wasserstein-metric
Last synced: 29 Sep 2024
https://github.com/sparks-baird/CrabNet
Predict materials properties using only the composition information!
attention-is-all-you-need attention-mechanism machine-learning materials-discovery materials-genome materials-informatics materials-science materials-screening predict-materials-properties python pytorch self-attention
Last synced: 18 Sep 2024