Alternatives and similar repositories for jwsProcessor

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

• yoshida-lab / MTL_ChiParameter
  Sample code for "Predicting polymer-solvent miscibility using machine-learned Flory-Huggins interaction parameters
  ☆17Updated last year
• kaityo256 / mdstep
  分子動力学法ステップ・バイ・ステップ
  ☆16Updated 6 years ago
• cgmartini / martinize.py
  Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
  ☆38Updated 3 years ago
• genesis-release-r-ccs / genesis
  Source, test set, and document for Molecular Dynamics software, GENESIS.
  ☆38Updated 8 months ago
• ricalmang / chemxls
  Chemxls can recursively analyze directories and mine data from some of the most common computational chemistry input and output files. Th…
  ☆20Updated 4 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆57Updated last month
• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 3 years ago
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆32Updated 3 months ago
• gromacs / copernicus
  Copernicus
  ☆17Updated 8 years ago
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆26Updated 4 years ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆114Updated 5 months ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆33Updated 2 weeks ago
• MayLab-UConn / BUMPy
  ☆25Updated 3 years ago
• noinil / genesis_cg_tool
  Prepare topology and coordinate file for CG models in Genesis.
  ☆12Updated 4 months ago
• s-nanjo / Spacier
  ☆15Updated 11 months ago
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last week
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆86Updated last week
• Autodesk / notebook-molecular-visualization
  2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js
  ☆82Updated 7 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆104Updated 5 months ago
• selimsami / qforce
  ☆61Updated 4 months ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆69Updated 8 months ago
• MasatakaYm / Molecular-Simulation
  分子シミュレーションの理論や関連するトピックをまとめたノート
  ☆26Updated last year
• insilichem / ommprotocol
  A command line application to launch molecular dynamics simulations with OpenMM
  ☆40Updated 3 years ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆33Updated 2 years ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆64Updated 2 years ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆50Updated last year
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆61Updated last year