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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] Install D…
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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] Install Docker…
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### Summary
We have partnered with [BioModels](https://www.ebi.ac.uk/biomodels/) at [EMBL-EBI](https://www.ebi.ac.uk/) (Hinxton) to explore potential ways to incorporate Ersilia's models into well-es…
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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] Install Docker…
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**Describe the bug**
Running training on the same dataset multiple times gives very different test MSEs. This happens both when using the default random seeds and when manually specifying the random …
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Hello to everybody,
I tried permeability prediction in PK-Sim for three neutral compounds from the paper Thelen et al., 2011: theophylline, paracetamol, caffeine. The resulting permeabilities display…
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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] Install Docker…
-
### 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] Install Docker…
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This is the output on USPTO-15K dataset; a few questions on the output (I'm new to the pharma domain)
1. looks like this is a Retrosynthesis prediction task?
2. but whats with the question marks in …
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**Description**
I am looking into the ADMET group in single instance prediction. For some of the datasets, a small subset of molecules appear both in the `train_val` and `test` datasets.
**To Repr…