Alternatives and similar repositories for VFVS:

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

• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆145Updated last year
• dptech-corp / Uni-Dock
  Uni-Dock: a GPU-accelerated molecular docking program
  ☆217Updated 3 weeks ago
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆396Updated this week
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆110Updated last year
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆132Updated this week
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆300Updated last week
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆118Updated last year
• Valdes-Tresanco-MS / gmx_MMPBSA
  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
  ☆249Updated 3 weeks ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆164Updated last week
• VirtualFlow / VFLP
  VirtualFlow for Ligand Preparation
  ☆57Updated last month
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆328Updated 3 months ago
• rifdock / rifdock
  Rifdock Library for Conformational Search
  ☆152Updated 10 months ago
• Acellera / moleculekit
  MoleculeKit: Your favorite molecule manipulation kit
  ☆217Updated this week
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆263Updated 2 months ago
• MobleyLab / drug-computing
  Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…
  ☆151Updated 3 weeks ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆236Updated this week
• haddocking / prodigy
  Predict the binding affinity of protein-protein complexes from structural data
  ☆120Updated 5 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆114Updated 10 months ago
• swansonk14 / admet_ai
  Training and prediction scripts for Chemprop models trained on ADMET datasets
  ☆141Updated 5 months ago
• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆266Updated last year
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆286Updated 11 months ago
• gjoni / trDesign
  trRosetta for protein design
  ☆177Updated 3 years ago
• oxpig / ImmuneBuilder
  Predict the structure of immune receptor proteins
  ☆133Updated 2 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.
  ☆100Updated last year
• RosettaCommons / DeepAb
  Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.
  ☆159Updated 2 years ago
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆183Updated last year
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆333Updated 6 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆289Updated last year
• MengwuXiao / GetBox-PyMOL-Plugin
  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
  ☆91Updated 5 years ago