youmingzhao91
youmingzhao91
In addition, I have preprocessed the CrossDocked dataset in the same way as Pocket2Mol.
Thanks! I'm using generate_ligands.py with a for-loop to do that. It works now.
Where can I get the checkpoint for the CrossDocked dataset? Can you upload it here?
> Hi, I would just like to add that this repository only contains checkpoints for BindingMOAD at the moment. Please keep this in mind when sampling molecules for the CrossDocked...
I tried to solve this problem with `radius_graph` which is much faster than your original get_edges, but the subsequent sampling result showed that `radius graph` may not be consistent with...
Yes, I was aware of `loop=True`. The problem is when I used `radius_graph`, another error occured as follows. ``` ERROR: Element '0 F' not found ERROR: moving to the beginning...
Honestly, your code is very hard to run, because it needs a lot of memory. Even though I found a great GPU with large memory and trained your code for...