Alternatives and similar repositories for iqb-2024

Users that are interested in iqb-2024 are comparing it to the libraries listed below

• log-md / sliFrame
  Slides + Iframe = sliFrame
  ☆55Updated 6 months ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated 3 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆74Updated 6 months ago
• ingcoder / unomd
  Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.
  ☆167Updated last month
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆151Updated last week
• DweipayanG / GROMACS-Protein-Ligand
  ☆57Updated 3 years ago
• MolSSI-Education / iqb-2025
  This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaborat…
  ☆86Updated 4 months ago
• pritampanda15 / PandaDock
  PandaDock: A Physics-Based Molecular Docking using Python
  ☆80Updated 3 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆52Updated 2 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆23Updated last year
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆90Updated 2 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆76Updated last year
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated 3 weeks ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆63Updated 2 weeks ago
• TheBiomics / Molecular-Dynamics
  ☆20Updated last year
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆62Updated 5 months ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆81Updated 3 years ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆73Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆39Updated 4 months ago
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆71Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆54Updated this week
• TheVisualHub / VisualFactory
  📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact
  ☆72Updated 2 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆129Updated last year
• czodrowskilab / VSFlow
  ☆96Updated 8 months ago
• karagol-taner / Molecular-Dynamics-on-AWS-and-Cloud-Computing
  Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services
  ☆23Updated last week
• 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.
  ☆112Updated 2 years ago
• katritchlab / V-SYNTHES
  ☆78Updated 3 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated last week
• DunbrackLab / IPSAE
  Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3
  ☆128Updated 6 months ago