You're currently viewing an old version of this dataset. To see the current version, click here.

ANI1x

The dataset used for training scalable graph foundation models (GFM) for atomistic materials modeling.

Data and Resources

Cite this as

Massimiliano Lupo Pasini, Jong Youl Choi, Kshitij Mehta, Pei Zhang, David Rogers, Jonghyun Bae, Khaled Z. Ibrahim, Ashwin M. Aji, Karl W. Schulz, Jord`a Polo (2024). Dataset: ANI1x. https://doi.org/10.57702/90fk49sh

DOI retrieved: December 2, 2024

Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Author Massimiliano Lupo Pasini
More Authors
Jong Youl Choi
Kshitij Mehta
Pei Zhang
David Rogers
Jonghyun Bae
Khaled Z. Ibrahim
Ashwin M. Aji
Karl W. Schulz
Jord`a Polo
Homepage https://doi.org/10.1021/acs.jctc.0c01155