Alternatives and similar repositories for SurfDock:

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

• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆213Updated 8 months ago
• ikalvet / heme_binder_diffusion
  ☆119Updated 6 months ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆160Updated 2 months ago
• zaixizhang / PocketGen
  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
  ☆176Updated this week
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆153Updated last month
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆236Updated 11 months ago
• baker-laboratory / PLACER
  PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
  ☆111Updated last month
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆149Updated last year
• patrickbryant1 / EvoBind
  In silico directed evolution of peptide binders with AlphaFold
  ☆158Updated 2 months ago
• jertubiana / ScanNet
  ☆124Updated last year
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆112Updated 3 weeks ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆104Updated 5 months ago
• zhanghaicang / carbonmatrix_public
  ☆111Updated last month
• Kortemme-Lab / flex_ddG_tutorial
  ☆107Updated 2 years ago
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆137Updated 6 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆114Updated 10 months ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods (ICML 2024 AI4Science)
  ☆141Updated 3 weeks ago
• levinthal / Pallatom
  ☆91Updated 5 months ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆118Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆268Updated 2 months ago
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 2 years ago
• ai4protein / Pro-FSFP
  Pro-FSFP: Few-Shot Protein Fitness Prediction
  ☆80Updated 3 months ago
• bcov77 / silent_tools
  A bunch of shell utilities for dealing the silent files
  ☆58Updated 3 weeks ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆190Updated last week
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆111Updated last year
• guyujun / pyrosetta-basic
  ☆158Updated 3 years ago
• westlake-repl / SaprotHub
  Making Protein Modeling Accessible to All Biologists
  ☆106Updated last week
• TencentAI4S / tfold
  open source code for Tencent tFold
  ☆95Updated last month
• ProteinDesignLab / protpardelle
  Diffusion-based all-atom protein generative model.
  ☆187Updated last month
• schrojunzhang / KarmaDock
  ☆110Updated 8 months ago