Grits

MS-DIAL — open-source software from RIKEN for untargeted metabolomics and lipidomics data processing. Provides deconvolution, peak picking, alignment, isotope and adduct annotation, compound identific

2 shared topics • 2 shared operations

Use when working with Crux — the University of Washington Noble Lab's open-source toolkit for bottom-up tandem mass spectrometry (MS/MS) proteomics analysis. Covers the full peptide identification pip

2 shared topics • 1 shared operation

PRIDE tools are EMBL-EBI proteomics data repository utilities for submitting, querying, and downloading mass spectrometry datasets from the PRIDE Archive. Use this skill for ProteomeXchange dataset su

2 shared topics • 1 shared operation

RawTools — open-source C# toolkit for parsing and quality control of Thermo Orbitrap RAW mass spectrometry files from DDA experiments. Extracts scan metadata, generates QC metrics for instrument monit

2 shared topics • 1 shared operation

Uni-Mol universal 3D molecular representation learning framework for molecular property prediction, protein-ligand docking, drug-target interaction, and binding affinity scoring. Covers unimol_tools P

2 shared topics