Alternatives and similar repositories for openmm-hip

Users that are interested in openmm-hip are comparing it to the libraries listed below

• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated 2 months ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆88Updated 2 years ago
• TinkerTools / tinker-hp
  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
  ☆93Updated last month
• merzlab / QUICK
  QUICK: A GPU-enabled ab intio quantum chemistry software package
  ☆175Updated 3 weeks ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 11 months ago
• openmm / NNPOps
  High-performance operations for neural network potentials
  ☆93Updated 5 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆124Updated 2 years ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆149Updated 3 weeks ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆151Updated 8 months ago
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆31Updated last year
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆119Updated last month
• openmm / openmm-tensorflow
  OpenMM plugin to define forces with neural networks
  ☆33Updated 5 years ago
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆96Updated 2 years ago
• bio-phys / asyncmd
  asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…
  ☆12Updated last week
• lpwgroup / torsiondrive
  Dihedral scanner with wavefront propagation
  ☆34Updated 3 months ago
• qubekit / QUBEKit
  Quantum Mechanical Bespoke Force Field Derivation Toolkit
  ☆101Updated last year
• TinkerTools / tinker-gpu
  Tinker-GPU: Next Generation of Tinker with GPU Support
  ☆51Updated last month
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆138Updated 2 months ago
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆29Updated 3 years ago
• tbereau / auto_martini
  Automatic MARTINI parametrization of small organic molecules
  ☆68Updated 2 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated 4 months ago
• dmzuckerman / Sampling-Uncertainty
  Best Practices article intended for LiveCoMS
  ☆41Updated 5 years ago
• coarse-graining / cgnet
  learning coarse-grained force fields
  ☆63Updated 3 years ago
• aiqm / aimnet
  Atoms In Molecules Neural Network Potential
  ☆106Updated 5 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆91Updated last week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆116Updated 4 years ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆182Updated last week
• openforcefield / smirnoff99Frosst
  A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
  ☆29Updated 11 months ago
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆203Updated last week
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆144Updated 2 weeks ago