/tools/IDSL_MINT

IDSL_MINT

idslme/IDSL_MINT

26 stars1 forksPythonAdded February 4, 2026
summary

IDSL_MINT is a deep learning framework designed to interpret raw mass spectrometry data, enabling the prediction of molecular fingerprints and structures from MS/MS spectra. It utilizes transformer models to translate mass spectra into molecular descriptors and canonical SMILES, making it a valuable tool for cheminformatics and molecular property prediction.

description

A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data

topics

lipidomicsmass-spectrometrymetabolomicsmolecular-fingerprintsmsmssmall-moleculetransformeruntargeted-metabolomicspython3pytorchcheminformaticsrdkit

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