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Is there more to do on the `tinyint` or `half` branches to get them released or are they ready to be put into `0.5.1`? If there is more to do for them, let me know and I'll see if it's something I cou…
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### Model Name
Drug-induced liver injury prediction
### Model Description
Prediction of clinically relevant drug-induced-liver-injury (DILI), based solely on drug structure using binary classificat…
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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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### 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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These 3 compounds are duplicated (but different `broad_sample` values)
|pert_iname | n|
|:-------------|--:|
|BVT-948 | 2|
|dexamethasone | 2|
|thiostrepton | 2|
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Hello,
I wanted to generate fingerprint for some molecules.
I tried to use python version or ocaml version. In ocaml's version, I couldn't use fingerprint.ml or fp_mol.ml. Everything that I've …
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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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[log.txt](https://github.com/user-attachments/files/17262858/log.txt)
When trying to flash my samsung phone with the right loaders according to https://www.temblast.com/ref/loaders.htm I tried both l…
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### 🚀 The feature, motivation and pitch
Neural Fingerprint, continous alternative for molecular fingerprints via convolutional GNNs, is a well known approach to graph classification. PyG already has …
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Hello, Sam. Your work is highly meaningful, but I would like to inquire if it is possible to export molecular fingerprints for the MS/MS spectra as well as the molecular fingerprints of compounds with…