Alternatives and similar repositories for Python4AnalyticalChemistry:

Users that are interested in Python4AnalyticalChemistry are comparing it to the libraries listed below

• erik-menke / AnalyticalProjects
  A series of jupyter notebooks to help chemistry students learn python for analytical chemistry
  ☆47Updated 3 years ago
• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆13Updated 4 years ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆41Updated 2 years ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆25Updated last month
• ML4chemArg / Intro-to-Machine-Learning-in-Chemistry
  ☆98Updated 3 years ago
• sametz / nmrsim
  A Python library for NMR simulation
  ☆24Updated last year
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆60Updated last month
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆73Updated last year
• andersle / chemometrics
  Binder repo for chemometrics exercises
  ☆12Updated 3 weeks ago
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆41Updated 7 months ago
• qcxms / QCxMS
  Quantum mechanic mass spectrometry calculation program
  ☆46Updated 5 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆143Updated 7 months ago
• selimsami / qforce
  ☆58Updated 2 weeks ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆100Updated 2 weeks ago
• patonlab / DBSTEP
  DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …
  ☆52Updated 5 months ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated 2 years ago
• Psi4Education / psi4education
  Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
  ☆52Updated 3 years ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆63Updated 2 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆100Updated 2 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆171Updated 3 months ago
• TUHH-TVT / openCOSMO-RS_py
  ☆67Updated 3 weeks ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆25Updated 4 years ago
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆116Updated 2 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆68Updated last month
• ricalmang / chemxls
  Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. Th…
  ☆19Updated 4 years ago
• mordred-descriptor / mordred-web
  mordred web interface
  ☆13Updated 2 years ago
• andrewtarzia / mol-ellipsize
  Molecular size calculation based on ellipsoid fitting over N conformers
  ☆16Updated 3 years ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 2 weeks ago