Inspiration
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What it does
How we built it
Challenges we ran into
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What we learned
What's next for The Alchemists
Built With
- matchms
- python
- torch
- wandb
The Alchemists
Our problem was to predict how a given molecule would fragment in tandem MS. We built a model that leverages the pretrained chemistry LLM called ChemBERTa to solve this problem.
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