Alternatives and similar repositories for cctbx_project

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

• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆231Updated last week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆199Updated this week
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆155Updated 2 weeks ago
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆173Updated last week
• glotzerlab / freud
  Powerful, efficient particle trajectory analysis in scientific Python.
  ☆302Updated this week
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆198Updated 3 weeks ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆148Updated last week
• project-gemmi / gemmi
  macromolecular crystallography library and utilities
  ☆292Updated last week
• plumed / plumed2
  Development version of plumed 2
  ☆454Updated this week
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆300Updated last week
• chemfiles / chemfiles
  Library for reading and writing chemistry files
  ☆186Updated this week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆370Updated last week
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆362Updated this week
• cclib / cclib
  Parsers and algorithms for computational chemistry logfiles
  ☆377Updated this week
• OpenChemistry / avogadroapp
  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …
  ☆228Updated last week
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆134Updated last week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆118Updated 4 years ago
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆378Updated last year
• leeping / forcebalance
  Systematic force field optimization.
  ☆152Updated 10 months ago
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆174Updated 2 months ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆295Updated last week
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆84Updated 3 weeks ago
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆389Updated last month
• MolSSI / QCEngine
  Quantum chemistry program executor and IO standardizer (QCSchema).
  ☆189Updated 2 months ago
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆106Updated 2 years ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆146Updated 4 months ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆156Updated 3 weeks ago
• tmpchem / computational_chemistry
  Files used in TMP Chem videos on computational chemistry
  ☆234Updated 5 years ago