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**I can't find a way to ignore RDKit's warnings**
I'm using RDKit version 2019.03.4; I haven't been able to suppress the warnings that
pop up when trying to convert a SMILES string to a molecule …
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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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**Is your feature request related to a problem? Please describe.**
Citing chemprop requires getting to the papers manually and retrieving a citation file.
**Desired solution/workflow**
See the [G…
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Dear ChemProp developers,
1. I would like to load a model once during the startup of a webservice and make predictions with calibrated uncertainties
based on lists of SMILES strings. From the docume…
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### Model Name
Prediction of hERG Channel Blockers with Directed Message Passing Neural Networks
### Model Description
The model uses invertible flow-based model for generating unique molecules wit…
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Hi, I would like AMBER (a MD software) to be installed. Here is the link to the website: https://ambermd.org/ ...Thank you!
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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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## Keyword: differential privacy
### State-of-the-Art Approaches to Enhancing Privacy Preservation of Machine Learning Datasets: A Survey
- **Authors:** Chaoyu Zhang
- **Subjects:** Cryptography an…
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Hello.
I'm trying to scale up animal PBPK model to human PBPK model.
I make mouse, rat, dog PBPK model but there are not correaltion between these species.
So I choose all diffrent distribution mod…
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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…