Alternatives and similar repositories for ccCluster

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

• rs-station / reciprocalspaceship
  Tools for exploring reciprocal space
  ☆32Updated this week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆201Updated this week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆171Updated last week
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 2 weeks ago
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆365Updated this week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆181Updated last month
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆126Updated last week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆221Updated last week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆207Updated this week
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆132Updated last year
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆115Updated 4 months ago
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆274Updated 2 weeks ago
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆236Updated 4 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆151Updated last month
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆163Updated last week
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆69Updated 5 months ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆147Updated 4 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated last week
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆310Updated last week
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆184Updated 9 months ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆80Updated last week
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆67Updated last year
• fgrunewald / Martini_PolyPly
  Tool for generating MARTINI Polymer itps and structures
  ☆16Updated 5 years ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆150Updated last week
• tubiana / TTClust
  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
  ☆119Updated last year
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆85Updated 3 weeks ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆298Updated last month
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆124Updated 3 years ago