Alternatives and similar repositories for Deep-Docking-NonAutomated

Users that are interested in Deep-Docking-NonAutomated are comparing it to the libraries listed below

• jamesgleave / DeepDockingGUI
  ☆37Updated 3 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆55Updated 3 weeks ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• czodrowskilab / VSFlow
  ☆98Updated 8 months ago
• fimrie / DeepCoy
  ☆30Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆40Updated last week
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆84Updated 2 months ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• vktrannguyen / MLSF-protocol
  ☆41Updated last year
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆36Updated 7 months ago
• fergaljd / cyclops
  ☆18Updated 10 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆67Updated this week
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆40Updated 5 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆125Updated 2 years ago
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆91Updated 2 years ago
• keiserlab / LUNA
  ☆59Updated 2 months ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆78Updated last year
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆53Updated last week
• oxpig / MolSnapper
  ☆52Updated 6 months ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆64Updated 6 months ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• vibudh2209 / D2
  Speed virtual screening by 50X
  ☆96Updated 2 years ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆24Updated 3 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆111Updated 6 months ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆35Updated 3 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆35Updated 4 months ago