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
  ☆533Updated 2 months ago
• gnina / gnina
  A deep learning framework for molecular docking
  ☆795Updated 2 weeks ago
• pharmai / plip
  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…
  ☆606Updated 3 weeks ago
• sokrypton / ColabDesign
  Making Protein Design accessible to all via Google Colab!
  ☆842Updated last month
• YoshitakaMo / localcolabfold
  ColabFold on your local PC
  ☆782Updated 4 months ago
• RosettaCommons / PyRosetta.notebooks
  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
  ☆629Updated last year
• martinpacesa / BindCraft
  User friendly and accurate binder design pipeline
  ☆915Updated 3 months ago
• openmm / pdbfixer
  PDBFixer fixes problems in PDB files
  ☆600Updated 3 weeks ago
• pablo-arantes / making-it-rain
  Cloud-based molecular simulations for everyone
  ☆458Updated 3 weeks ago
• volkamerlab / teachopencadd
  TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
  ☆930Updated this week
• Pymol-Scripts / Pymol-script-repo
  Collected scripts for Pymol
  ☆500Updated 3 months ago
• baker-laboratory / rf_diffusion_all_atom
  Public RFDiffusionAA repo
  ☆449Updated last year
• baker-laboratory / RoseTTAFold-All-Atom
  ☆765Updated 5 months ago
• gcorso / DiffDock
  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
  ☆1,370Updated 6 months ago
• steineggerlab / foldseek
  Foldseek enables fast and sensitive comparisons of large structure sets.
  ☆1,095Updated last week
• Discngine / fpocket
  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…
  ☆410Updated last year
• RosettaCommons / rosetta
  The Rosetta Bio-macromolecule modeling package.
  ☆346Updated 2 weeks ago
• LPDI-EPFL / masif
  MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
  ☆704Updated last year
• kalininalab / alphafold_non_docker
  AlphaFold2 non-docker setup
  ☆368Updated last year
• MolecularAI / REINVENT4
  AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
  ☆608Updated 2 weeks ago
• dauparas / ProteinMPNN
  Code for the ProteinMPNN paper
  ☆1,518Updated last year
• nrbennet / dl_binder_design
  ☆368Updated last year
• dauparas / LigandMPNN
  ☆478Updated 9 months ago
• microsoft / AI2BMD
  AI-powered ab initio biomolecular dynamics simulation
  ☆550Updated 9 months ago
• biotite-dev / biotite
  A comprehensive library for computational molecular biology
  ☆886Updated this week
• Graylab / DL4Proteins-notebooks
  Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
  ☆514Updated 2 months ago
• Graylab / IgFold
  Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies
  ☆389Updated 2 years ago
• prody / ProDy
  A Python Package for Protein Dynamics Analysis
  ☆511Updated last month
• 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.
  ☆282Updated 3 weeks ago
• chembl / chembl_webresource_client
  Official Python client for accessing ChEMBL API
  ☆426Updated 9 months ago