Alternatives and similar repositories for DeepDockingGUI:

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

• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆31Updated 3 weeks ago
• pritampanda15 / PandaDock
  PandaDock: A Physics-Based Molecular Docking using Python
  ☆44Updated this week
• czodrowskilab / VSFlow
  ☆85Updated last month
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆47Updated 2 weeks ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆41Updated last year
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆22Updated 4 months ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated last year
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆21Updated last week
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆32Updated 10 months ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆58Updated 2 weeks ago
• mindrank-ai / PharmaBench
  ☆34Updated last year
• vktrannguyen / MLSF-protocol
  ☆38Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago
• fergaljd / cyclops
  ☆16Updated 2 months ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆25Updated 3 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆50Updated 3 weeks ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆26Updated 2 years ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆28Updated 10 months ago
• fimrie / DeepCoy
  ☆28Updated last year
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆48Updated last year
• forlilab / cosolvkit
  CosolvKit is a versatile tool for cosolvent MD preparation and analysis
  ☆23Updated 2 weeks ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆21Updated 7 months 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, …
  ☆57Updated 5 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆29Updated 3 weeks ago
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆17Updated last year