Alternatives and similar repositories for TS2CG

Users that are interested in TS2CG are comparing it to the libraries listed below

• weria-pezeshkian / TS2CG-v2.0
  TS2CG version 2
  ☆26Updated last week
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆96Updated 2 years ago
• LLNL / ddcMD
  A fully GPU-accelerated molecular dynamics program for the Martini force field
  ☆35Updated 2 years ago
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆33Updated last month
• VTX-Molecular-Visualization / VTX
  ☆64Updated this week
• pdynamo / pDynamo3
  The pDynamo molecular modeling and simulation program
  ☆42Updated 3 weeks ago
• MayLab-UConn / BUMPy
  ☆25Updated 3 years ago
• graeter-group / grappa
  A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM
  ☆56Updated this week
• maccallumlab / martini_openmm
  ☆58Updated this week
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated 11 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆126Updated last month
• cgmartini / martinize.py
  Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
  ☆38Updated 3 years ago
• tiwarylab / State-Predictive-Information-Bottleneck
  ☆29Updated 2 years ago
• openmm / NNPOps
  High-performance operations for neural network potentials
  ☆93Updated last week
• openmm / openmm-setup
  An application for configuring and running simulations with OpenMM
  ☆75Updated last month
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆72Updated last year
• KULL-Centre / CALVADOS
  ☆78Updated last month
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆72Updated last month
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆37Updated last month
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• torchmd / torchmd-cg
  Example to fit parameters and run CG simulations using TorchMD and Schnet
  ☆48Updated 3 years ago
• openmm / openmm-ml
  High level API for using machine learning models in OpenMM simulations
  ☆132Updated 3 weeks ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 3 months ago
• openforcefield / smirnoff99Frosst
  A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
  ☆31Updated last year
• craabreu / ufedmm
  Unified Free Energy Dynamics (UFED) simulations with OpenMM
  ☆35Updated 3 months ago
• bio-phys / PyDHAMed
  Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
  ☆20Updated 7 years ago
• lilyminium / psiresp
  RESP with inter- and intra-molecular constraints in Psi4.
  ☆32Updated 2 years ago
• openmm / openmm_workshops
  ☆39Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆80Updated this week
• GilsonLabUCSD / pAPRika
  Advanced toolkit for binding free energy calculations
  ☆33Updated 3 months ago