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PeakDecoder
PeakDecoder PublicA workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.
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pspecterlib
pspecterlib PublicProteomics R package for matching peptide fragments for both digested and intact proteomics
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EMSL-Computing/MetaCycData’s past year of commit activity - dimpl Public archive
EMSL-Computing/dimpl’s past year of commit activity - INTEGRATOR Public
INTEGRATOR is a robust, multi-stage integrative modeling workflow designed to elucidate the architecture of large, flexible, and multi-subunit protein assemblies that are challenging for traditional structural methods.
EMSL-Computing/INTEGRATOR’s past year of commit activity - MetaMS Public
EMSL-Computing/MetaMS’s past year of commit activity - CoreMS-Orchestrator Public
CoreMS Orchestrator is an AI-augmented desktop application for automated processing, molecular formula assignment, and intelligent interpretation of Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry data.
EMSL-Computing/CoreMS-Orchestrator’s past year of commit activity - RhizoAI Public
AI-ready datasets and workflows for rhizosphere imaging and root classification using OCT, XCT, and machine learning
EMSL-Computing/RhizoAI’s past year of commit activity - Pore2Chip Public
A python package that takes XCT images of porous materials and generates representative digital twin micromodels
EMSL-Computing/Pore2Chip’s past year of commit activity
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