Alternatives and similar repositories for PackDock:

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

• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated this week
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆22Updated 4 months ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆27Updated 9 months ago
• Rose-STL-Lab / FS-CAP
  few-shot compound activity regression
  ☆13Updated 7 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated last month
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆23Updated last year
• hongliangduan / HighFold
  ☆23Updated 10 months ago
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆19Updated 3 months ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated last year
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆29Updated last month
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆39Updated last year
• huhlim / alphafold-multistate
  ☆34Updated 11 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• freeenergylab / FEP-SPell-ABFE
  FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery
  ☆47Updated 2 months ago
• dooo12332 / AlphaTraj
  Pocket dynamics analysis tool
  ☆12Updated 2 months ago
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆18Updated last year
• GilbertoPPereira / PROTACability
  ☆12Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆50Updated last year
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆38Updated 2 months ago
• ComputArtCMCG / PLANET
  ☆57Updated last year
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆52Updated last year
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆23Updated last month
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆22Updated 3 months ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• darrenjhsu / tiny_IFD
  Lightweight induced fit docking
  ☆20Updated last year