Deep (Transfer) Learning for Peptide Retention Time Prediction
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Updated
Sep 17, 2021 - Python
Deep (Transfer) Learning for Peptide Retention Time Prediction
Python code to identify and calculate decomposition of materials using Raman spectroscopy
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
Targeted pipeline to quantify metabolomics datasets produced by QExactive and Triple Quadrupole Mass Specs.
Data hub and data tool repository related to the NIST PFAS Program.
A Python utility for the processing and quantification of chromatography data
Deep Learning for Mass Spectra Quality Assessment
Topino: A graphical tool for assessment of molecular-stream separations
A Python package to plot fractional composition diagrams and pH-log c diagrams
Awesome papers and codes list of analytical chemistry-related deep learning methods
Helper Functions For Dealing With GCMS and LCMS data from IonAnalytics
A capillary electrophoresis data extraction utility for Karat32 data files
Direct Analysis in Real Time (DART) Mass Spectrometry Data Analysis
Personal Website
Decompose Thermo Gravimetrical Analysis (TGA) curves into simpler logistic curves representing mass-change events with a chemical interpretation. All of the analysis is performed with the TensorFlow library for the creation of a NN-analogous model and optimization.
Perform titration curves of any acid-base pair.
A Shiny R project to ease the statistical validation of analytical methods
Quantitative analysis of chemicals
Python code to identify and calculate decomposition of materials using Raman spectroscopy
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