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
  ☆214Updated 9 months ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆164Updated 2 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆238Updated 11 months ago
• ikalvet / heme_binder_diffusion
  ☆122Updated 6 months ago
• zaixizhang / PocketGen
  PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets
  ☆177Updated 3 weeks ago
• patrickbryant1 / EvoBind
  In silico directed evolution of peptide binders with AlphaFold
  ☆163Updated 3 weeks ago
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆150Updated last year
• bjornwallner / DockQ
  DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models
  ☆273Updated 3 months ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆119Updated last year
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆139Updated this week
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆154Updated 2 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆113Updated 11 months ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆148Updated last month
• Kortemme-Lab / flex_ddG_tutorial
  ☆109Updated 2 years ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆113Updated last month
• jertubiana / ScanNet
  ☆125Updated last year
• TencentAI4S / tfold
  open source code for Tencent tFold
  ☆97Updated last month
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 2 years ago
• zhanghaicang / carbonmatrix_public
  ☆111Updated last week
• varun-shanker / structural-evolution
  ☆104Updated 9 months ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆199Updated last month
• schrojunzhang / KarmaDock
  ☆112Updated 8 months ago
• baker-laboratory / PLACER
  PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
  ☆118Updated last month
• guyujun / pyrosetta-basic
  ☆160Updated 3 years ago
• oxpig / ImmuneBuilder
  Predict the structure of immune receptor proteins
  ☆133Updated 3 months ago
• RosettaCommons / RFantibody
  ☆194Updated 3 weeks ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆139Updated this week
• forlilab / Meeko
  Interface for AutoDock, molecule parameterization
  ☆250Updated this week
• rifdock / rifdock
  Rifdock Library for Conformational Search
  ☆154Updated 11 months ago
• swansonk14 / admet_ai
  Training and prediction scripts for Chemprop models trained on ADMET datasets
  ☆151Updated 7 months ago