Alternatives and similar repositories for thermopyl

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

• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated 2 weeks ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆18Updated last year
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆56Updated last week
• usnistgov / COSMOSAC
  A Benchmark Implementation of COSMO-SAC
  ☆70Updated 5 months ago
• lvpp / sigma
  LVPP sigma-profile database + COSMO-SAC parametrizations
  ☆66Updated last week
• IUPAC / Dissociation-Constants
  This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…
  ☆73Updated this week
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆25Updated 3 years ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆85Updated last month
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• TUHH-TVT / openCOSMO-RS_conformer_pipeline
  ☆30Updated 7 months ago
• selimsami / qforce
  ☆61Updated 4 months ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated last month
• TheoChem-VU / PyFrag
  ☆21Updated last month
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆50Updated last year
• TUHH-TVT / openCOSMO-RS_py
  ☆89Updated 3 weeks ago
• TUHH-TVT / openCOSMO-RS_cpp
  ☆18Updated 7 months ago
• virtualzx-nad / pypackmol
  Python wrapper for packmol molecule packing program
  ☆12Updated 9 years ago
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆44Updated 7 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• MDAnalysis / MDAnalysis.github.io
  MDAnalysis home page mdanalysis.org as GitHub pages.
  ☆15Updated last week
• m3g / Packmol.jl
  The future of Packmol
  ☆39Updated 5 months ago
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆80Updated 6 years ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆80Updated last week
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆23Updated 3 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆27Updated last year
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆44Updated 4 years ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆44Updated last year
• chrisjsewell / PyGauss
  An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
  ☆26Updated 3 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆86Updated last week
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 7 years ago