Alternatives and similar repositories for bioxtasraw

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

• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆275Updated this week
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆127Updated 2 months ago
• keitaroyam / yamtbx
  my crystallographic toolbox
  ☆18Updated 3 months ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆148Updated 7 months ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆159Updated this week
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆162Updated last month
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆237Updated 3 weeks ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆166Updated last month
• sametz / nmrsim
  A Python library for NMR simulation
  ☆25Updated last year
• xia2 / xia2
  An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
  ☆21Updated this week
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆315Updated this week
• rs-station / careless
  Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata
  ☆19Updated 3 months ago
• silx-kit / freesas
  Small angle scattering tools ... but unlike most others, free.
  ☆12Updated 7 months ago
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆184Updated 4 months ago
• 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
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated last week
• osmart / hole2
  Source code for HOLE program.
  ☆37Updated last year
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated last week
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆153Updated last week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆174Updated this week
• weisscharlesj / SciCompforChemists
  Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…
  ☆303Updated last week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆122Updated 4 years ago
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆135Updated 6 years ago
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆217Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• skblnw / mkvmd_render
  How to make images for publication using VMD
  ☆42Updated 4 years ago
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆376Updated this week
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆33Updated 3 weeks ago
• project-gemmi / gemmi
  macromolecular crystallography library and utilities
  ☆312Updated 2 weeks ago