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
  ☆53Updated 5 months ago
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆65Updated last year
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆82Updated 2 months ago
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆58Updated last year
• mqcomplab / MDANCE
  MDANCE is a flexible n-ary clustering package for all applications.
  ☆62Updated last month
• RMeli / spyrmsd
  📐 Symmetry-corrected RMSD in Python
  ☆98Updated last month
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆70Updated 2 years ago
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆40Updated 2 years ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆124Updated 3 months ago
• rowansci / egret-public
  ☆65Updated 2 weeks ago
• michellab / a3fe
  Automated Adaptive Absolute alchemical Free Energy calculator
  ☆97Updated 3 weeks ago
• OpenBioSim / sire
  Sire Molecular Simulations Framework
  ☆57Updated this week
• openmm / openmm_workshops
  ☆36Updated 9 months ago
• maccallumlab / martini_openmm
  ☆54Updated 2 years ago
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆66Updated 3 months ago
• openforcefield / openff-bespokefit
  Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
  ☆69Updated last week
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆74Updated last year
• log-md / logmd
  ☆61Updated last month
• bigginlab / ABFE_workflow
  This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
  ☆50Updated 2 months ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆93Updated last week
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• choderalab / qmlify
  ☆44Updated 3 years ago
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆115Updated this week
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆37Updated 11 months ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆52Updated 7 months ago
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆74Updated 2 weeks ago
• 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…
  ☆53Updated last year
• aethertier / secstructartist
  A python module to plot secondary structure schemes
  ☆25Updated last year
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• NNairIITK / Enhanced_Sampling_Methods_Tutorials
  Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..
  ☆46Updated 4 years ago