Alternatives and similar repositories for gcmstools

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

• rohanisaac / spc
  Module for reading, exploring and converting *.spc spectroscopic binary data in Python.
  ☆98Updated 3 years ago
• jjhelmus / nmrglue
  A module for working with NMR data in Python
  ☆241Updated 2 months ago
• cgohlke / molmass
  Molecular mass calculations.
  ☆63Updated last week
• msmbuilder / msmbuilder
  Statistical models for biomolecular dynamics
  ☆160Updated 4 years ago
• vosegaard / simpson
  ☆22Updated 5 years ago
• nzhagen / jcamp
  A set of Python utilities for reading JCAMP-DX files.
  ☆55Updated 2 months ago
• usnistgov / pyMCR
  pyMCR: Multivariate Curve Resolution for Python
  ☆92Updated 4 years ago
• derb12 / pybaselines
  A Python library of algorithms for the baseline correction of experimental data.
  ☆156Updated last week
• bennomeier / pyNMR
  A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format
  ☆37Updated 2 weeks ago
• ma-bio21 / pyms
  ☆13Updated 8 years ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆146Updated 5 months ago
• awlong / DiffusionMap
  C++ implementation of the Diffusion Map, with Python bindings
  ☆10Updated 8 years ago
• Photon-HDF5 / phconvert
  Convert Beker&Hickl, PicoQuant and other formats to Photon-HDF5
  ☆16Updated 5 months ago
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆46Updated 4 months ago
• rnelsonchem / pHcalc
  Systematic pH calculation package for Python
  ☆37Updated 2 years ago
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 8 years ago
• bio-phys / BioEn
  BioEn - Bayesian Inference Of ENsembles
  ☆21Updated last year
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆153Updated last week
• pele-python / pele
  Python energy landscape explorer
  ☆98Updated last month
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• laserkelvin / PySpecTools
  Routines for rotational spectroscopy analysis written in Python 3
  ☆31Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• IvanChernyshov / NistChemData
  A repository for physico-chemical data extracted from the NIST Chemistry WebBook
  ☆13Updated 4 months ago
• datreant / datreant
  persistent, pythonic trees for heterogeneous data
  ☆33Updated 3 years ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 3 months ago
• leonardo-chiappisi / pyDSC
  Set of python scripts for the correction of DSC data.
  ☆26Updated last year
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆26Updated 4 years ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆70Updated 2 weeks ago
• hughesadam87 / scikit-spectra
  Python pandas-based toolkit for explorative spectroscopy, in particular UVVis spectroscopic data.
  ☆96Updated 2 years ago