Alternatives and similar repositories for stormm

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

• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆56Updated 9 months ago
• openforcefield / openff-bespokefit
  Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
  ☆70Updated this week
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆129Updated last week
• mqcomplab / MDANCE
  MDANCE is a flexible n-ary clustering package for all applications.
  ☆79Updated last week
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆139Updated 3 weeks ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆68Updated 7 months ago
• paulrobustelli / Force-Fields
  Force Fields
  ☆65Updated 8 months ago
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆72Updated 2 years ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆43Updated this week
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆53Updated this week
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆77Updated this week
• rinikerlab / Ensembler
  Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…
  ☆54Updated last year
• openmm / openmm_workshops
  ☆39Updated last year
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆105Updated last month
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆84Updated 2 months ago
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆74Updated 2 weeks ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated this week
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆111Updated this week
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆80Updated 6 months ago
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆65Updated 2 months ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆59Updated this week
• OpenFreeEnergy / alchemiscale
  a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
  ☆31Updated last week
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆127Updated this week
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆98Updated this week
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆65Updated 2 years ago
• choderalab / qmlify
  ☆44Updated 3 years ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆76Updated last year
• josejimenezluna / delfta
  Δ-QML for medicinal chemistry
  ☆102Updated 5 months ago
• rowansci / egret-public
  ☆73Updated 3 weeks ago
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆52Updated this week