Alternatives and similar repositories for AutoDock-Vina:

Users that are interested in AutoDock-Vina are comparing it to the libraries listed below

• ccsb-scripps / AutoDock-GPU
  AutoDock for GPUs and other accelerators
  ☆445Updated last month
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …
  ☆500Updated last month
• gnina / gnina
  A deep learning framework for molecular docking
  ☆671Updated this week
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆461Updated last month
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆419Updated this week
• YoshitakaMo / localcolabfold
  ColabFold on your local PC
  ☆659Updated this week
• 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.
  ☆245Updated last month
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆544Updated 6 months ago
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆522Updated this week
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆631Updated 8 months ago
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆327Updated 6 months ago
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆428Updated 3 weeks ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆828Updated last month
• sokrypton / ColabDesign
  Making Protein Design accessible to all via Google Colab!
  ☆690Updated last week
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,186Updated 6 months ago
• baker-laboratory / RoseTTAFold-All-Atom
  ☆693Updated 7 months ago
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆323Updated 2 months ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆367Updated 8 months ago
• pb3lab / ibm3202
  Google Colab Tutorials for IBM3202
  ☆256Updated 4 months ago
• steineggerlab / foldseek
  Foldseek enables fast and sensitive comparisons of large structure sets.
  ☆912Updated this week
• 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
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆885Updated this week
• uw-ipd / RoseTTAFold2NA
  RoseTTAFold2 protein/nucleic acid complex prediction
  ☆351Updated 9 months ago
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆230Updated last month
• oddt / oddt
  Open Drug Discovery Toolkit
  ☆431Updated 2 years ago
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆280Updated last year
• prody / ProDy
  A Python Package for Protein Dynamics Analysis
  ☆456Updated 2 weeks ago
• kalininalab / alphafold_non_docker
  AlphaFold2 non-docker setup
  ☆352Updated last year
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆390Updated this week
• martinpacesa / BindCraft
  User friendly and accurate binder design pipeline
  ☆462Updated this week