DreaMS

DreaMS documentation

Tutorials

Working with MS/MS data using HDF5
DreaMS embeddings
- Computing embeddings
- Visualizing embeddings with UMAP
Libray matching with DreaMS
DreaMS molecular networking
Clustering MS/MS spectra with LSH
Assessing spectral quality
DreaMS Atlas
Using pre-trained DreaMS in a custom model
DreaMS-Fluorine

Advanced tutorials

Constructing GeMS dataset
Murcko histogram split
Self-supervsied pre-training
Fine-tuning for downstream tasks

API Reference

API Reference
- dreams package

DreaMS

API Reference
dreams package
dreams.models package
dreams.models.pretrained package
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