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### Model Name
SmilesPE: tokenizer algorithm for SMILES, DeepSMILES, and SELFIES
### Model Description
The Smiles Pair Encoding method generates smiles substring tokens based on high-frequenc…
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### 🐛 Describe the bug
Using MPS for BERT inference appears to produce about a 2x slowdown compared to the CPU. Here is code to reproduce the issue:
```python
# MPS Version
from transformers i…
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Hello (:
I gave the new version a brief try by using doc.elements on the following elsevier publication:
https://doi.org/10.1016/j.chemosphere.2014.05.068
In the direct comparison of version …
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### Model Name
Molecular Prediction Model Fine-Tuning (MolPMoFiT)
### Model Description
Using self-supervised learning, the authors pre-trained a large model using one millon unlabelled molecules f…
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### Week 1 - Get to know the community
- [ ] Join the communication channels
- [ ] Open a GitHub issue (this one!)
- [ ] Install the Ersilia Model Hub and test the simplest model
- [ ] Install Docker…
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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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### Model Name
Antimalarial activity (MMV)
### Model Description
Prediction of the in vitro antimalarial potential of small molecules. This model has been developed by Ersilia thanks to experimenta…
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### Model Name
Growth Inhibitors of Neisseria gonorrhoeae
### Model Description
The authors curated a dataset of 282 compounds from ChEMBL, of which 160 (56.7%) were labelled as active N. gon…
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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…