Alternatives and similar repositories for kinetics:

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

• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆112Updated 5 years ago
• paulrobustelli / CHEM101.6
  ☆123Updated 11 months ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆58Updated last year
• maccallumlab / martini_openmm
  ☆52Updated last year
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated last year
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆41Updated 6 years ago
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆98Updated 6 months ago
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆65Updated 3 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆113Updated 6 years ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆124Updated last month
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆61Updated 2 years ago
• osmart / hole2
  Source code for HOLE program.
  ☆34Updated 6 months ago
• ricalessandri / Martini3-small-molecules
  Martini 3 small-molecule database
  ☆57Updated 6 months ago
• resal81 / PyTopol
  A library for converting molecular topologies
  ☆13Updated 9 years ago
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆94Updated last year
• avirshup / py3dmol
  ☆111Updated 8 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆107Updated this week
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆54Updated 11 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆60Updated 3 years ago
• cgmartini / martinize.py
  Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
  ☆32Updated 2 years ago
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆41Updated 6 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆53Updated 2 months ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆75Updated 10 months ago
• CCPBioSim / qmmm-workshop
  Workshop teaching QMMM using Amber
  ☆60Updated 2 years ago
• simonmb / fragmentation_algorithm
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆20Updated last week
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆114Updated 2 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆78Updated 6 months ago
• KULL-Centre / CALVADOS
  ☆46Updated 3 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last week