Alternatives and similar repositories for WFChemCookbook

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

• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆58Updated 3 weeks ago
• TUHH-TVT / openCOSMO-RS_py
  ☆68Updated last week
• maserasgroup-repo / pyssian
  Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of co…
  ☆19Updated last month
• TheoChem-VU / PyFrag
  ☆20Updated 3 weeks ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆45Updated this week
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 7 months ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆33Updated 4 years ago
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆42Updated 6 years ago
• selimsami / qforce
  ☆58Updated last month
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆38Updated 9 months ago
• grimme-lab / CENSO
  CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
  ☆29Updated last week
• usnistgov / COSMOSAC
  A Benchmark Implementation of COSMO-SAC
  ☆62Updated 3 months ago
• cambiegroup / flowchem
  Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.
  ☆16Updated this week
• IUPAC / IUPAC_SMILES_plus
  IUPAC SMILES+ Specification
  ☆37Updated last year
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 8 months ago
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆22Updated 4 years ago
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆24Updated 3 years ago
• dsvatunek / autoDIAS
  autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis
  ☆16Updated 3 years ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆27Updated last year
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆74Updated last year
• csms-ethz / CombiFF
  CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich
  ☆17Updated 2 years ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated last month
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆38Updated 11 months ago
• NREL / m2p
  ☆29Updated 9 months ago
• qcscine / chemoton
  ☆48Updated 9 months ago
• panwarp / PyL3dMD
  PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package
  ☆29Updated 11 months ago
• qcxms / QCxMS
  Quantum mechanic mass spectrometry calculation program
  ☆46Updated 6 months ago
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆39Updated 3 weeks ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆35Updated 10 months ago
• lvpp / sigma
  LVPP sigma-profile database + COSMO-SAC parametrizations
  ☆63Updated this week