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Achievement: Pull SharkAchievement: StarstruckAchievement: Arctic Code Vault Contributor

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JosieHong/README.md

We choose to go to the Moon...not because it is easy, but because it is hard.

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  1. FIDDLE Public

    Formula IDentification from tandem mass spectra by Deep LEarning

    Python 6

  2. TSTL Public

    A Task-Specific Transfer Learning Approach to Enhancing Small Molecule Retention Time Prediction with Limited Data

    Python 4

  3. 3DMolMS Public

    [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations

    Python 23 7

  4. 3DMolCSP Public

    [Analytical Chemistry] Enhanced Structure-Based Prediction of Chiral Stationary Phases for Chromatographic Enantioseparation from 3D Molecular Conformations

    Python 7 2

  5. awesome-smallmol-massspec-ml Public

    Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods

    33 8

  6. benb111/awesome-small-molecule-ml Public

    A curated list of resources for machine learning for small-molecule drug discovery

    228 28

200 contributions in the last year

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Contribution activity

October 2025

Created 1 repository

Created a pull request in bittremieux-lab/spectrum_utils that received 1 comment

Sort annotation by delta

Added an argument to spectrum.annotate_proforma to sort annotations by absolute delta values. Not sure if we need this feature, but it could be use…

+17 −0 lines changed • 1 comment

Created an issue in Nesvilab/MSFragger that received 3 comments

Error: Database file not found when using custom FASTA on Linux

I am trying to use the following FASTA file for searching on Linux: 0602_Universal Contaminants.fasta The decoy entries in this FASTA were generate…

3 comments
7 contributions in private repositories Oct 1 – Oct 6
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