ANI-1xBB

June 14, 2025 ยท View on GitHub

This repository contains the code and trained models mentioned in the ANI-1xBB paper:

https://pubs.acs.org/doi/full/10.1021/acs.jctc.5c00347

The dataset is available at Kilthub:

https://kilthub.cmu.edu/articles/dataset/ANI-1xBB_dataset/28405316

Contents

  1. 1This repository contains the code and trained models mentioned in the ANI-1xBB paper:
  2. 2The dataset is available at Kilthub: