materials-discoveries topic

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.

ncfrey

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

tilde-lab

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

lukasturcani

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

sparks-baird