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
  ☆33Updated last week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆217Updated last year
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated last week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆180Updated 3 weeks ago
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated last week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆184Updated 4 months ago
• mosdef-hub / mosdef-workflows
  Sample molecular simulation workflows using a MoSDeF and community tools
  ☆16Updated 3 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆87Updated 2 weeks ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆153Updated last month
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆138Updated 2 weeks ago
• mosdef-hub / msibi
  A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)
  ☆17Updated last month
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 3 months ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆86Updated this week
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆54Updated last month
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated last week
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 3 months ago
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated last week
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated 3 weeks ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆148Updated 7 months ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆130Updated last month
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆64Updated last month
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆71Updated 7 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆57Updated last week
• rsdefever / GAFF-foyer
  ☆11Updated 4 years ago
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆232Updated 3 weeks ago
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 2 months ago
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆23Updated 3 years ago
• njzjz / openbabel-wheel
  ☆24Updated last month
• tblite / tblite
  Light-weight tight-binding framework
  ☆181Updated 3 weeks ago