Alternatives and similar repositories for AutoDockTools_py3

Users that are interested in AutoDockTools_py3 are comparing it to the libraries listed below

• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆105Updated 7 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆119Updated 2 years ago
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆59Updated 7 months ago
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆110Updated 7 months ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆156Updated 3 months ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆120Updated last year
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆104Updated last year
• bytedance / Protenix-Dock
  An accurate and trainable end-to-end protein-ligand docking framework
  ☆89Updated 2 months ago
• ikalvet / heme_binder_diffusion
  ☆128Updated 7 months ago
• oxpig / DeLinker
  ☆125Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆35Updated 11 months ago
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 2 years ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆76Updated last month
• schrojunzhang / KarmaDock
  ☆113Updated 9 months ago
• baker-laboratory / PLACER
  PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
  ☆130Updated 2 months ago
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆246Updated last year
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆158Updated this week
• Kortemme-Lab / flex_ddG_tutorial
  ☆114Updated 2 years ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆118Updated last week
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆216Updated 10 months ago
• bcov77 / silent_tools
  A bunch of shell utilities for dealing the silent files
  ☆61Updated 3 weeks ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆123Updated last week
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆46Updated 5 months ago
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆95Updated last year
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆189Updated last year
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆171Updated 3 months ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆85Updated last year
• richardshuai / fampnn
  Sidechain conditioning and modeling for full-atom protein sequence design
  ☆106Updated 3 months ago
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆140Updated last month
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆90Updated last month