Alternatives and similar repositories for bioxtasraw

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

• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆158Updated 2 weeks ago
• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆265Updated this week
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆147Updated 4 months ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆159Updated this week
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆233Updated this week
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆150Updated this week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated last week
• amd / openmm-hip
  ☆21Updated last year
• keitaroyam / yamtbx
  my crystallographic toolbox
  ☆18Updated last month
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆310Updated last week
• njzjz / openbabel-wheel
  ☆24Updated last week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆181Updated last month
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆201Updated this week
• silx-kit / freesas
  Small angle scattering tools ... but unlike most others, free.
  ☆12Updated 4 months ago
• osmart / hole2
  Source code for HOLE program.
  ☆36Updated last year
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆119Updated 4 years ago
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last week
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆171Updated last week
• project-gemmi / gemmi
  macromolecular crystallography library and utilities
  ☆297Updated this week
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆298Updated last month
• weisscharlesj / SciCompforChemists
  Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…
  ☆288Updated 2 weeks ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆306Updated last week
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆108Updated 2 weeks ago
• deepmodeling / DMFF
  DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…
  ☆180Updated last month
• plumed / plumed2
  Development version of plumed 2
  ☆458Updated last week
• pemsley / coot
  Software for macromolecular model-building
  ☆150Updated this week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆163Updated last week
• xia2 / xia2
  An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
  ☆20Updated last week