Topic: materials-discoveries Goto Github
Some thing interesting about materials-discoveries
Some thing interesting about materials-discoveries
materials-discoveries,MBTR embedded atom model predictions
User: braydenbekker
Home Page: https://github.com/msg-byu
materials-discoveries,K-fold-m-step forward cross-validation is a new approach of evaluating extrapolation performance in materials property prediction.
User: buptxz
materials-discoveries,A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
User: lukasturcani
materials-discoveries,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.
User: ncfrey
Home Page: https://pumml.readthedocs.io/
materials-discoveries,A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
Organization: sparks-baird
Home Page: https://mat-discover.readthedocs.io/
materials-discoveries,Examples of using the Novel Materials Discovery (NOMAD) database, especially downloading all chemical formulas.
Organization: sparks-baird
Home Page: https://doi.org/10.6084/m9.figshare.19319783.v3
materials-discoveries,Curated list of known efforts in materials informatics, i.e. in modern materials science
Organization: tilde-lab
materials-discoveries,Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
Organization: tilde-lab
Home Page: https://optimade.science
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