Published March 30, 2022 | Version v1
Dataset Open

ANI-1 dataset with added atomic volume ratios restricted to CHNO atoms for DNN-MBD

Authors/Creators

  • 1. Sorbonne Université

Description

ANI-1 dataset with added atomic volume ratios restricted to CHNO atoms for DNN-MBD

Files

Files (2.8 GB)

Name Size
md5:c9437eea24656d73966497a382b54a24
2.8 GB Download
md5:6bbeedd9b7a80f2b41706ab7d9c2f4d5
1.4 MB Download

Additional details

Funding

European Commission
EMC2 - Extreme-scale Mathematically-based Computational Chemistry 810367