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1. ProSAP ProSAP Public

   ProSAP: A GUI Software Tool for Statistical Analysis and Assessment in Thermal Shift Assay

   Python 7 5

2. DeepEI DeepEI Public

   Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks

   Python 34 16

3. PyFingerprint PyFingerprint Public

   Python tool for generate fingerprints of a molecule

   Python 72 32

4. MAPS-iTSA MAPS-iTSA Public

   Matrix-Augmented Pooling Strategy for High-Throughput Target Deconvolution Reveals Cell Type Off-targets and Responses

   Jupyter Notebook 4 2

5. DeepMASS2_GUI DeepMASS2_GUI Public

   DeepMASS2 is a cross-platform GUI software tool, which enables deep-learning based metabolite annotation via semantic similarity analysis of mass spectral language.

   Python 5 2

6. AutoMS AutoMS Public

   Deep Denoising Autoencoder-assisted Continuous Scoring of Peak Quality in High-Resolution LC−MS Data

   Jupyter Notebook 6 1