pyg-team/pytorch_geometric

Add QM7-X dataset

Open

#6,115 opened on 2022幎12月1日

GitHub で芋る
 (3 comments) (0 reactions) (1 assignee)Python (3,514 forks)batch import
1 - Priority P1datasetfeaturehelp wanted

Repository metrics

Stars
 (19,985 stars)
PR merge metrics
 (平均マヌゞ 35d 1h) (30d で 14 merged PRs)

説明

🚀 The feature, motivation and pitch

Would it be possible to include the QM7-X dataset to the list of PyG datasets?

Data is available on Zenodo https://zenodo.org/record/3905361 Processing code available in qchem

コントリビュヌタヌガむド