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
  ☆272Updated this week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆126Updated 2 months ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated this week
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆162Updated 3 weeks ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆163Updated 2 weeks ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆173Updated last month
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆235Updated this week
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆95Updated this week
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆110Updated 2 months ago
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆121Updated 4 years ago
• osmart / hole2
  Source code for HOLE program.
  ☆37Updated last year
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆315Updated this week
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆147Updated 6 months ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆175Updated this week
• merzlab / QUICK
  QUICK: A GPU-enabled ab intio quantum chemistry software package
  ☆191Updated last month
• rs-station / careless
  Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata
  ☆18Updated 2 months ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆321Updated 2 weeks ago
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated last week
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆100Updated 3 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆134Updated 6 years ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆306Updated 2 months ago
• 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).
  ☆183Updated 3 months ago
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆184Updated 2 weeks ago
• deepmodeling / DMFF
  DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…
  ☆183Updated 2 weeks ago
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last month
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆114Updated last week
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆155Updated last week
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆31Updated last year