Crystal Site Feature Embedding Enables Exploration of Large Chemical Spaces

Hitarth Choubisa, Mikhail Askerka, Kevin Ryczko, Oleksandr Voznyy, Kyle Mills, Isaac Tamblyn*, Edward H. Sargent

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Fingerprint

Dive into the research topics of 'Crystal Site Feature Embedding Enables Exploration of Large Chemical Spaces'. Together they form a unique fingerprint.

Keyphrases

Engineering

Physics

Chemistry

Material Science

Chemical Engineering