Alternatives and similar repositories for ccCluster

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

• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆182Updated last month
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆223Updated 2 weeks ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆208Updated last week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆185Updated 5 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆153Updated 2 months ago
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆232Updated 2 weeks ago
• rs-station / reciprocalspaceship
  Tools for exploring reciprocal space
  ☆34Updated 2 weeks ago
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆379Updated 2 weeks ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆139Updated 2 weeks ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 3 months ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆216Updated last month
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆292Updated 3 months ago
• MolSSI / cookiecutter-cms
  Python-centric Cookiecutter for Molecular Computational Chemistry Packages
  ☆445Updated last month
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆88Updated this week
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆188Updated 2 weeks ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated last month
• kuelumbus / rdkit-pypi
  ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
  ☆136Updated last week
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆72Updated 8 months ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆169Updated last year
• njzjz / openbabel-wheel
  ☆24Updated this week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆175Updated 3 weeks ago
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆135Updated last year
• MobleyLab / FreeSolv
  Experimental and calculated small molecule hydration free energies
  ☆133Updated 3 years ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆245Updated 3 weeks ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆88Updated this week
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆317Updated this week
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆293Updated 2 months ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 2 weeks ago
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆110Updated last month
• mosdef-hub / mosdef-workflows
  Sample molecular simulation workflows using a MoSDeF and community tools
  ☆16Updated 3 years ago