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Oligomer-Finder
Oligomer-Finder PublicForked from FangLabNTU/Oligomer-Finder
Oligomer-Finder is a program for seed molecule guided oligomers screened and annotation for MS/MS data.
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SpectralEntropy
SpectralEntropy PublicForked from christinehc/SpectralEntropy
The similarity score for spectral comparison
Python
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Fentanyl-Hunter
Fentanyl-Hunter PublicForked from FangLabNTU/Fentanyl-Hunter
Machine learning and molecular network-assisted screening reveals unknown compounds in the fentanyl family.
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DreaMS
DreaMS PublicForked from pluskal-lab/DreaMS
Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)
Jupyter Notebook
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