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
  ☆505Updated 6 months ago
• gnina / gnina
  A deep learning framework for molecular docking
  ☆746Updated last month
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …
  ☆566Updated last month
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆489Updated last month
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆564Updated 5 months ago
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆595Updated 11 months ago
• YoshitakaMo / localcolabfold
  ColabFold on your local PC
  ☆728Updated last month
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆440Updated 3 weeks ago
• sokrypton / ColabDesign
  Making Protein Design accessible to all via Google Colab!
  ☆764Updated 2 months ago
• baker-laboratory / RoseTTAFold-All-Atom
  ☆740Updated 2 months ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆895Updated last month
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆423Updated 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…
  ☆368Updated 11 months ago
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,300Updated 3 months ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆674Updated last year
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆540Updated 2 weeks ago
• RosettaCommons / rosetta
  The Rosetta Bio-macromolecule modeling package.
  ☆300Updated last week
• microsoft / AI2BMD
  AI-powered ab initio biomolecular dynamics simulation
  ☆535Updated 5 months ago
• martinpacesa / BindCraft
  User friendly and accurate binder design pipeline
  ☆621Updated 3 weeks ago
• steineggerlab / foldseek
  Foldseek enables fast and sensitive comparisons of large structure sets.
  ☆1,018Updated last week
• kalininalab / alphafold_non_docker
  AlphaFold2 non-docker setup
  ☆362Updated 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.
  ☆271Updated last month
• lightdock / lightdock
  Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
  ☆348Updated last month
• PatWalters / practical_cheminformatics_tutorials
  Practical Cheminformatics Tutorials
  ☆1,059Updated 2 weeks ago
• uw-ipd / RoseTTAFold2NA
  RoseTTAFold2 protein/nucleic acid complex prediction
  ☆361Updated last year
• rdk / p2rank
  P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
  ☆333Updated this week
• dauparas / LigandMPNN
  ☆425Updated 6 months ago
• nrbennet / dl_binder_design
  ☆338Updated last year
• dauparas / ProteinMPNN
  Code for the ProteinMPNN paper
  ☆1,396Updated 11 months ago
• haddocking / pdb-tools
  A dependency-free cross-platform swiss army knife for PDB files.
  ☆424Updated 3 weeks ago