Pinned Repositories
IDSL.CSA
Composite Spectra Analysis
IDSL.IPA
Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.
IDSL.MXP
A light weight and fast parser for reading mzML, mzXML and netCDF data files
IDSL.UFA
United Formula Annotation (UFA) for LC-HRMS data
IDSL_MINT
A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
pytorch_geometric
Graph Neural Network Library for PyTorch
Isotopic-Profile-Deconvolution-Chromatogram-IPDC-algorithm
The IPDC algorithm was developed to screen for a wide variety of organic compounds in high-resolution mass spectrometry (HRMS) data acquired from instruments with resolution power as low as 22 000 fwhm.
PC-SAFT-EoS
methanol+1-octanol VLE
sajfb
sajfb.github.io
sajfb's Repositories
sajfb/PC-SAFT-EoS
methanol+1-octanol VLE
sajfb/Isotopic-Profile-Deconvolution-Chromatogram-IPDC-algorithm
The IPDC algorithm was developed to screen for a wide variety of organic compounds in high-resolution mass spectrometry (HRMS) data acquired from instruments with resolution power as low as 22 000 fwhm.
sajfb/sajfb
sajfb/sajfb.github.io