Boris-Droz

Boris-Droz's Stars

• rdkit/rdkit

  The official sources for the RDKit library

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• santisoler/cc-licenses

  Creative Commons Licenses for Github

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• ALShum/rwunderground

  A simple R package to get historical and forecast weather data

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• rickhelmus/patRoon

  Workflow solutions for mass-spectrometry based non-target analysis.

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• griquelme/tidyms

  TidyMS: Tools for working with MS data in untargeted metabolomics

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• chhh/batmass

  Mass spectrometry data visualization

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• HuanLab/BUDDY

  Bottom-up MS/MS interrogation & Experiment-specific global annotation

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• XiminHu/mass-suite

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• usnistgov/dimspec

  The Database Infrastructure for Mass Spectrometry (DIMSpec) project

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• QizhiSu/mspcompiler

  Compile Mass Spectral Libraries from Various Sources

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• schymane/RChemMass

  Various Cheminformatic, Curation and Mass Spectrometry Functions

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• JonZwe/PFAScreen

  PFAScreen is an open-source Python based non-target screening software tool to prioritize potential PFAS features in raw data from LC- or GC-HRMS measurements with a simple GUI. It uses several prioritization techniques such as the MD/C-m/C approach, KMD analysis, and fragment mass differences and diagnostic fragments in the MS2 data.

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• ZhuMSLab/DecoMetDIA

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• dynamic-R/RTM

  Reaction Transport Modelling course

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• JonZwe/FindPFAS

  FindPFAS (FindPolyFluoroDeltas) is an open source Python based algorithm which can be used to extract high-resolution MS/MS spectra (HR-MS/MS) that comprise certain fragment mass differences of interest.

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• usnistgov/NISTPFAS

  Data hub and data tool repository related to the NIST PFAS Program.

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• cran/ReacTran

  :exclamation: This is a read-only mirror of the CRAN R package repository. ReacTran — Reactive Transport Modelling in 1d, 2d and 3d

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• pmartR/malbacR

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• kruvelab/MS2Quant

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• SydneyBioX/hRUV

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• InnovativeOmics/Core-Match

  Core scripts for FluoroMatch, LipidMatch, and PolyMatch

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• njuIrene/SWATH-F

  A Novel Nontarget Strategy Based on the SWATH-MS Deconvolution Method Assist in Annotating PFAS Homologs in Multi-sample Studies.

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• CRKOMassSpecComputing/HomoSeriesMatcher

  HomoSeriesMatcher is used to identify homologous series in high resolution mass spectrometry data.

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