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
  ☆43Updated 2 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆62Updated 5 months ago
• janash / iqb-2024
  Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking
  ☆53Updated 2 months ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆48Updated last week
• mangeshdamre / Free-Energy-Landscape
  ☆12Updated 4 years ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆56Updated last year
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆32Updated 8 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆17Updated 7 months ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆27Updated last month
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆44Updated last month
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆51Updated 6 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆47Updated 2 months ago
• Graylab / AlphaRED
  AlphaFold-initiated replica exchange protein docking
  ☆71Updated 6 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆55Updated 2 weeks ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆42Updated 5 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆67Updated 8 months ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆56Updated 4 months ago
• rwmontalvao / Melodia_py
  Protein Structure Analysis
  ☆53Updated last month
• czodrowskilab / VSFlow
  ☆86Updated this week
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆30Updated 6 years ago
• Kuhlman-Lab / evopro
  ☆73Updated 2 weeks ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated last year
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆67Updated this week
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆38Updated 9 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆43Updated last week
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆62Updated 2 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆30Updated 10 months ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆100Updated 2 years ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆126Updated this week