egnn

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I am wondering whether you could provide a tutorial concerning how to extrapolate egnn on another **dataset**, saying **alchemy**. You, your group, have done quite a good job so that...

LingsparkQ

Hi, I wonder about the implementation of two parts in the egnn codes. First, in E_GCL code, ``` def forward(self, h, edge_index, coord, edge_attr=None, node_attr=None): row, col = edge_index radial,...

Byun-jinyoung

Add Weights and Biases Logging Support

2

This PR aims to add basic [**Weights and Biases**](https://wandb.ai/site) Metric Logging by appending to the existing training scripts with minimal changes. The PR adds 3 extra arguments namely `--use_wandb`, `--wandb_project`...

SauravMaheshkar

About the implemenation of Eq4 of the EGNN paper.

2

Hi, I wonder about the implementation of Eq4 of the EGNN paper. According to equation 4 from the paper, the position update takes into accounts **all** interactions among the nodes...

Junyoungpark

Hi can you share your environment used to run code in this repo? It doesn't work with my local environment

Shujun-He

I was studying your paper and, when looking into the implementation, came upon the following in `.\models\egnn_clean\egnn_clean.py`: self.edge_mlp = nn.Sequential( nn.Linear(input_edge + edge_coords_nf + edges_in_d, hidden_nf), act_fn, nn.Linear(hidden_nf, hidden_nf), act_fn)...

LuisHDBueno