Alternatives and similar repositories for DeepResolution

Users that are interested in DeepResolution are comparing it to the libraries listed below

• zmzhang / pymass
  Package for analyzing MS with Python
  ☆10Updated 7 years ago
• XiaqiongFan / PC-CCA
  A fast and efficient spectra standardization algorithm.
  ☆11Updated 6 years ago
• mili7522 / ChromAlignNet
  Deep neural network for the alignment of GC-MS peaks
  ☆37Updated 5 years ago
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• XiaqiongFan / DeepRaman
  A Universal and Accurate Method for Easily Component identification in Raman Spectroscopy Based on Deep Learning
  ☆32Updated 11 months ago
• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆13Updated 3 years ago
• zhengfj1994 / PPGB_MS2
  ☆11Updated 8 months ago
• pattilab / PeakDetective
  ☆11Updated last year
• ehsanasgari / DeepPrime2Sec
  ☆26Updated 2 years ago
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆28Updated 7 months ago
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆11Updated 3 months ago
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated this week
• Brandt-J / SpectraReconstruction
  ☆13Updated 3 years ago
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆14Updated 2 months ago
• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆28Updated 2 years ago
• akensert / deep-learning-peak-detection
  Implementation of a deep learning model for peak detection in chromatograms.
  ☆19Updated 3 years ago
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated last month
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• Ryan21wy / EasyCID
  Component Identification with Raman Spectroscopy Made Easy
  ☆15Updated 7 months ago
• OE-FET / FraGVAE
  Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules
  ☆14Updated 2 years ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 3 years ago
• DarkMatterAI / mrl
  Molecular Reinforcement Learning
  ☆14Updated 2 years ago
• XiminHu / mass-suite
  ☆27Updated last year
• KavrakiLab / Spec2Mol
  ☆26Updated 2 years ago
• lkytal / PredFull
  This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network
  ☆31Updated 2 years ago
• yyi17 / DeepGlyco
  Prediction of glycopeptide fragment mass spectra by deep learning
  ☆10Updated last year
• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆13Updated 4 years ago
• yliuhz / PMAW
  Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"
  ☆10Updated 3 years ago