Chemperium database for: Geometric Deep Learning for Molecular Property Predictions with Chemical Accuracy Across Chemical Space
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/11409709
下载链接
链接失效反馈官方服务：
资源简介：
The dataset and trained models for the submitted manuscript "Geometric Deep Learning for Molecular Property Prediction with Chemical Accuracy Across Chemical Space"
The trained models can be used in combination with the predict module in github.com/mrodobbe/chemperium. More information in README.md.
When using these datasets, refer directly to the manuscript: https://doi.org/10.1186/s13321-024-00895-0
创建时间：
2024-08-13
