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## 🐛 Bug
Training an MPNNModel with a ValidationCallback throws a RuntimeError. Based on some [quick googling](https://discuss.pytorch.org/t/cudnn-rnn-backward-can-only-be-called-in-training-mode/3…
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Thanks for sharing this great binder generation pipeline! I have a few questions about the MPNN redesign/re-prediction step:
In your paper, you state: "These [MPNN-]optimized sequences are then re-…
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First of all, we would like to thank everyone who participated in this competition, host menbers and Kaggle Team! I'm happy to finish this competition with really stable LB, no shake down :D
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Dear authors, congratulations on your excellent work. I have a question regarding the manipulation of the binder's location.
The hotspots on my protein are located on one side, but the binder is be…
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## Describe the bug
When running the tutorial section "Change the Encoder" to modify the encoder in the AttentionModel, a TypeError occurs. The error indicates that the __init__ method of GCNEncoder …
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Super cool, but hard to get going. On top of the stated dependencies I also had to add a lot of modules to my environment to get this working:
ipdb einops ml-collections dm-tree ipywidgets jupyter ei…
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Team Paranoid Android at sv.ai/hackathon reports that atrous convolutions give large boosts to accuracy of graph convolution in DeepChem! I hope the members of this team see the message and contribute…
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I also had a similar problem with index out of range; my job failed at the beginning to hallucinate and it seemed also the problem of from the line 108 from bindcraft.py script.
'Stage 1: Test Logit…
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I've been trying motif scaffolding and I noticed there is difference between results produced by github RFdiffusion and by google colab RFdiffusion. I will post screen shots for explanation. Also, due…
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I have an AssertionError: Expected /home/myname/projects to be empty!
My File Structure is:/home/myname/projects/foldingdiff-main or /home/myname/projects/folddiff
Sadly，None of them works. The erro…