Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 May 6;8(18):eabm7185. doi: 10.1126/sciadv.abm7185

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

Copyright © 2022 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

PMC Copyright notice

Fig. 3. — PD and ICE plots for two 1-gram features (O4, Al6) and one 4-gram feature (In6-O4-Ga6-O4) for the KRR model for formation energy. The interactions between the 1-grams in the KRR model are also shown. The code required for this plot is available at https://github.com/aa840/icepd.git.