Alternatives and similar repositories for MoSAIC

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

• moldyn / dcTMD
  Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
  ☆16Updated last month
• samplchallenges / SAMPL9
  ☆31Updated 2 years ago
• openmm / openmm-cookbook
  The OpenMM Cookbook and Tutorials
  ☆53Updated 2 weeks ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆46Updated last month
• MDAnalysis / membrane-curvature
  MDAnalysis tool to calculate membrane curvature.
  ☆35Updated 6 months ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated last year
• gph82 / mdciao
  mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
  ☆37Updated 3 weeks ago
• Abdelazim-Abdelgawwad / easyPARM
  easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…
  ☆32Updated 2 weeks ago
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆62Updated 2 weeks ago
• LQCT / MDScan
  An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics
  ☆17Updated 3 years ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆25Updated 3 years ago
• MikkelDA / COBY
  COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3
  ☆43Updated 2 months ago
• Shualdon / QupKake
  ☆36Updated last year
• MiaoLab20 / DBMD
  Deep Boosted Molecular Dynamics
  ☆13Updated last year
• SPICA-group / spica-tools
  Tools for coarse-grained molecular dynamics simulations using the SPICA force field
  ☆13Updated 9 months ago
• mme-ucl / MFI
  ☆13Updated 6 months ago
• mqcomplab / MultipleComparisons
  ☆40Updated 3 years ago
• Becksteinlab / MDPOW
  Calculation of water/solvent partition coefficients with Gromacs.
  ☆29Updated last year
• Gallicchio-Lab / openmm-atmmetaforce-plugin
  An OpenMM plugin that implements the Alchemical Transfer Potential
  ☆40Updated 2 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆54Updated 11 months ago
• qusers / Q6
  Q6 Repository -- EVB, FEP and LIE simulator.
  ☆35Updated 2 years ago
• OpenBioSim / biosimspace_tutorials
  A tutorials suite for BioSimSpace.
  ☆34Updated 3 months ago
• ale94mleon / moldrug
  moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ​
  ☆39Updated 3 months ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆63Updated last year
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆41Updated last week
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆67Updated 2 years ago
• PodewitzLab / PyConSolv
  ☆27Updated 7 months ago
• KMNitesh05 / GROMACS_tutorial
  ☆40Updated 2 years ago
• rinikerlab / GNNImplicitSolvent
  Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations
  ☆52Updated 9 months ago
• markovmodel / ivampnets
  ☆25Updated 2 years ago