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Hi. I encountered an error using finetune. It happens when I try to set options for certain metrics.
I used the same function in the document for `metric_set`.
The metric function works fine in `t…
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**Describe the bug**
If training with `--uncertainty_method dirichlet`, the MPNN outputs `alphas` of a Dirichlet distribution. At prediction time, `u` should be returned with the class probability sc…
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Hi,
Reading through the different documents in this repo, it's not clear to me how to run the solubility prediction to get a solubility score for a given protein.
Is there one such script? Thx.
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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There is this very well structured code for ADME prediction: https://github.com/swansonk14/admet_ai
We should have this model in the hub. It seems be straightforward according to the README file, bu…
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Good morning, everything was working fine for the past few weeks but suddenly i had this issue when i was using SolTranNet.
Re-installing did not help.
Traceback (most recent call last):
File…
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### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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@MingyuanXu san
Hello. I'm interested in tree invent and am considering using it. I've been looking at the Activity_RL_example in the TreeInvent-Community. When incorporating a target property into…