Alternatives and similar repositories for FreeDTS

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

• noegroup / reform
  A simple implementation of replica exchange MD simulations for OpenMM.
  ☆23Updated 3 years ago
• KULL-Centre / CALVADOS
  ☆59Updated this week
• maccallumlab / martini_openmm
  ☆54Updated 2 years ago
• marrink-lab / martini-forcefields
  Collection of interaction and molecule parameters for the Martini3 force-field
  ☆14Updated 2 years ago
• weria-pezeshkian / TS2CG-v2.0
  TS2CG version 2
  ☆12Updated last week
• openmm / openmm_workshops
  ☆35Updated 8 months ago
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆33Updated this week
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆64Updated last year
• jhenin / Methods-for-enhanced-sampling-and-free-energy-calculations
  Enhanced sampling methods for molecular dynamics simulations
  ☆36Updated 2 years ago
• tiwarylab / alphafold2rave
  ☆68Updated 10 months ago
• vuqv / cosmo
  COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM
  ☆12Updated last year
• ghorbanimahdi73 / GraphVampNet
  ☆15Updated 3 years ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆81Updated 2 weeks ago
• Multiscale-Modelling-of-Complex-Systems / Native-contacts-determination-from-MD
  We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…
  ☆16Updated 10 months 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
• RedesignScience / cvpack
  Useful Collective Variables for OpenMM
  ☆13Updated last year
• ShijiZ / PyRESP
  ☆11Updated 2 months ago
• CCPBioSim / qmmm-workshop
  Workshop teaching QMMM using Amber
  ☆63Updated 2 years ago
• YAMACS-SML / YAMACS
  Yasara plugins for Gromacs users
  ☆27Updated last year
• bioexcel / cp2K_qmmm_tutorials_for_biological_simulations
  Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.
  ☆22Updated 5 years ago
• essex-lab / grand
  A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
  ☆67Updated last year
• HITS-MCM / gromacs-ramd
  Random Acceleration Molecular Dynamics in GROMACS
  ☆36Updated 9 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆46Updated 2 weeks ago
• tiwarylab / amino
  Automatic Mutual Information Noise Omission
  ☆15Updated 7 months ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆52Updated 4 months ago
• netscianalysis / netsci
  ☆13Updated 4 months ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆56Updated 4 months ago
• openforcefield / ccpbiosim-2023
  Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week
  ☆30Updated last year
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆43Updated 11 months ago