Gaopeng Ren

In the original paper, I saw that the concat operation is after the activation. However, in your implementation, the order is reversed. Is there some reasons to change the order,...

`k_hop_subgraph` doesn't work on graph with cycle

3

### 🐛 Describe the bug As I understand, the 1-hop subgraph of the given node index should be the connected edges with this node, however, when I apply k_hop_subgrpah function...

In the CalibrationAUC, the standard_devs are defined by: `standard_devs = [np.abs(set_['error'])/set_['confidence'] for set_ in data['sets_by_confidence']]` I am confused about the `set_['confidence']` here because the confidence is calculated by `1. /...

question about the allowed bond valence in stability check

9

Thank you for the great implementation of flow matching in molecule generation! I have a question regarding the allowed bond valence settings in the code. Specifically, in [this part of...

Open-source pretrained models

10

Congratulations on the acceptance to ICLR 2025! I was wondering, do you have any plans to open-source the pre-trained models? If so, when might they be available?