Alternatives and similar repositories for VFVS

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

• AngelRuizMoreno / Jupyter_Dock
  Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…
  ☆271Updated last year
• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆153Updated last year
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆181Updated last week
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆120Updated last year
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆224Updated 4 months ago
• 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.
  ☆271Updated last month
• dptech-corp / Uni-Dock
  Uni-Dock: a GPU-accelerated molecular docking program
  ☆247Updated last week
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆344Updated 3 weeks ago
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆273Updated last week
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆159Updated last month
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆226Updated 3 weeks ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆127Updated last year
• 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.
  ☆108Updated last year
• Merck / BioPhi
  BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluatio…
  ☆198Updated 3 months ago
• zrqiao / NeuralPLexer
  NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
  ☆306Updated last year
• RosettaCommons / DeepAb
  Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.
  ☆163Updated 2 years ago
• PDB-REDO / dssp
  Application to assign secondary structure to proteins
  ☆206Updated last week
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆144Updated 3 months ago
• gjoni / trDesign
  trRosetta for protein design
  ☆182Updated 4 years ago
• MengwuXiao / GetBox-PyMOL-Plugin
  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
  ☆99Updated 6 years ago
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆173Updated 4 months ago
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆116Updated 2 years ago
• jertubiana / ScanNet
  ☆131Updated 2 months ago
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆107Updated 11 months ago
• oxpig / ImmuneBuilder
  Predict the structure of immune receptor proteins
  ☆151Updated 7 months ago
• rifdock / rifdock
  Rifdock Library for Conformational Search
  ☆160Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆315Updated 3 weeks ago
• OptiMaL-PSE-Lab / DeepDock
  Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…
  ☆180Updated 3 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆102Updated 4 months ago
• mwojcikowski / smina
  ☆125Updated 6 years ago