Alternatives and similar repositories for ccCluster

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

• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• rs-station / reciprocalspaceship
  Tools for exploring reciprocal space
  ☆32Updated this week
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 10 months ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆199Updated this week
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆120Updated 2 weeks ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆167Updated 2 weeks ago
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆179Updated 3 weeks ago
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆220Updated 3 weeks ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆113Updated 3 months ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆85Updated last week
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆149Updated 2 weeks ago
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆182Updated 8 months ago
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆68Updated 3 months ago
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆124Updated 2 years 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 / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆103Updated 2 weeks ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆180Updated this week
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆146Updated 3 months ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆54Updated 2 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆159Updated this week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆161Updated 8 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 2 months ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆92Updated last month
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆148Updated last week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated this week
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆79Updated last week
• MolSSI / QCPortal
  A client interface to the QCArchive Project (read-only image of QCFractal)
  ☆34Updated 2 years ago