DiSCoVeR: a materials discovery screening tool for high performance, unique chemical compositions

Sterling G. Baird, Tran Q. Diep, Taylor D. Sparks
2022 Digital Discovery  
We present the DiSCoVeR algorithm (https://github.com/sparks-baird/mat_discover), a Python tool for identifying and assessing high-performing, chemically unique compositions relative to existing compounds.
doi:10.1039/d1dd00028d fatcat:unpb72vambcorb5y24bl2grkry