QM9数据集合异常

[wangzhenxiong]

dimenet的作者说他的数据集是有问题的，你们可以使用pyg自带的QM9数据集来处理。
https://github.com/gasteigerjo/dimenet/blob/master/data/This%20dataset%20contains%20an%20off-by-one%20error!.md

[wangzhenxiong]

另外正确数据集合的效果可否及时告知一下

[Limei Wang]

Hi @heyfavour, thanks for your information. We are looking into this and will update the dataset (perhaps with new results) soon.

[wangzhenxiong]

Hi @heyfavour, thanks for your information. We are looking into this and will update the dataset (perhaps with new results) soon.

可以使用pyg自带的QM9数据集么？

[Limei Wang]

Hi @heyfavour, I think yes, we can use torch_geometric.datasets.qm9 as it also provides atom types and atom positions. I need to double-check the position values and the property values.