Alternatives and similar repositories for GROMACS-Protein-Ligand

Users that are interested in GROMACS-Protein-Ligand are comparing it to the libraries listed below

• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆49Updated 6 months ago
• janash / iqb-2024
  Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking
  ☆69Updated 6 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆70Updated 3 months ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆171Updated last week
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆74Updated last year
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆78Updated 3 months ago
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆106Updated last year
• JoaoRodrigues / pdb-tools
  Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.
  ☆26Updated 3 years ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆117Updated 2 years ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆216Updated 3 months ago
• PyMOL-Ross / Pymol-Tutorials
  ☆31Updated 4 years ago
• MengwuXiao / GetBox-PyMOL-Plugin
  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
  ☆96Updated 6 years ago
• Graylab / AlphaRED
  AlphaFold-initiated replica exchange protein docking
  ☆83Updated last month
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆58Updated last week
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated last year
• pritampanda15 / PandaDock
  PandaDock: A Physics-Based Molecular Docking using Python
  ☆70Updated this week
• log-md / sliFrame
  Slides + Iframe = sliFrame
  ☆54Updated 3 months ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆158Updated 4 months ago
• haddocking / prodigy
  Predict the binding affinity of protein-protein complexes from structural data
  ☆138Updated 3 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆122Updated last year
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆77Updated 11 months ago
• ullahsamee / Alphafold3-Fedora-install
  ☆9Updated 7 months ago
• samuelmurail / af_analysis
  Analysis of alphafold and colabfold results
  ☆30Updated last week
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆69Updated last year
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 2 years ago
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆63Updated 3 months ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆121Updated last year
• carlocamilloni / Structural-Bioinformatics
  This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…
  ☆76Updated 3 months ago
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆32Updated 7 years ago
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆113Updated last year