Alternatives and similar repositories for iqb-2024

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

• DweipayanG / GROMACS-Protein-Ligand
  ☆48Updated 2 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆68Updated 2 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆46Updated 5 months 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…
  ☆77Updated last month
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆53Updated last month
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated last year
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆73Updated 11 months ago
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆19Updated 10 months ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆66Updated 2 years ago
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆47Updated 4 months ago
• log-md / sliFrame
  Slides + Iframe = sliFrame
  ☆54Updated last month
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆77Updated last year
• samuelmurail / af_analysis
  Analysis of alphafold and colabfold results
  ☆27Updated 2 weeks ago
• wells-wood-research / drMD
  Molecular Dynamics for Experimentalists
  ☆57Updated this week
• pritampanda15 / PandaDock
  PandaDock: A Physics-Based Molecular Docking using Python
  ☆69Updated last week
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆48Updated 2 weeks ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• 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
  ☆17Updated 6 months ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆33Updated last year
• JoaoRodrigues / pdb-tools
  Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.
  ☆26Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆35Updated 11 months ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆25Updated last week
• PyMOL-Ross / Pymol-Tutorials
  ☆30Updated 4 years ago
• tiwarylab / alphafold2rave
  ☆68Updated 11 months ago
• 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…
  ☆70Updated 2 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆60Updated 3 weeks ago
• ullahsamee / Alphafold3-Fedora-install
  ☆10Updated 6 months ago
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆95Updated last year
• DunbrackLab / IPSAE
  Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3
  ☆55Updated last month