Alternatives and similar repositories for pychemauth

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

• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆14Updated 4 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• XiminHu / mass-suite
  ☆29Updated last year
• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• larsyunker / PythoMS
  A series of python scripts which aid in the processing and interpretation of mass spectrometric data (formerly Mass-Spec-Python-Tools)
  ☆38Updated 5 years ago
• domdfcoding / pynist
  PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.
  ☆22Updated last week
• pnnl / MSAC
  ☆23Updated 9 months ago
• zhengfj1994 / PPGB_MS2
  ☆11Updated last year
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆18Updated 7 months ago
• pnnl / deimos
  ☆36Updated last month
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆22Updated last month
• pnnl / darkchem
  ☆33Updated last year
• mobiusklein / ms_peak_picker
  A small library to provide peak picking for software processing mass spectrometry data
  ☆23Updated last year
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• Bayer-Group / MOCCA
  ☆34Updated 8 months ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆31Updated 11 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆25Updated 2 years ago
• mohimanilab / molDiscovery
  ☆15Updated 4 years ago
• Ryan21wy / EasyCID
  Component Identification with Raman Spectroscopy Made Easy
  ☆19Updated last year
• Brandt-J / SpectraReconstruction
  ☆14Updated 3 years ago
• rpeckner-broad / Specter
  Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics
  ☆18Updated 7 years ago
• PHOENIXcenter / deeprtalign
  a deep learning-based retention time alignment tool for large cohort LC-MS data analysis
  ☆15Updated 2 years ago
• pattilab / PeakDetective
  ☆11Updated last year
• usnistgov / dimspec
  The Database Infrastructure for Mass Spectrometry (DIMSpec) project
  ☆26Updated 6 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated 4 months ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆13Updated 3 years ago
• maruedt / chemometrics
  Python library for chemometric data analysis
  ☆36Updated 3 years ago
• jvansan / nmrshiftdb_predictors_app
  ☆13Updated 5 years ago