Alternatives and similar repositories for Docking-4ieh:

Users that are interested in Docking-4ieh are comparing it to the libraries listed below

• bio-hpc / metascreener
  Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.
  ☆25Updated last week
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 2 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated 4 months ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆13Updated 9 months ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆26Updated 8 months ago
• harry-maan / gmx_qk
  ☆21Updated 2 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆54Updated this week
• BioComputingUP / ring-pymol
  This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua
  ☆23Updated last week
• Lemkul-Lab / gmx_tutorials_jpcb
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
  ☆17Updated 6 months ago
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆14Updated 4 months ago
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆21Updated 2 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated 2 months ago
• jp43 / DockBox
  Python package to facilitate the use of popular docking software
  ☆15Updated last year
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆44Updated 3 years ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆27Updated 3 weeks ago
• UCL / Open_Docking_Lab_Handbook
  A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.
  ☆22Updated 2 years ago
• jacquesboitreaud / vina_docking
  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina
  ☆22Updated 4 years ago
• jamesgleave / DeepDockingGUI
  ☆33Updated 2 years ago
• czodrowskilab / VSFlow
  ☆86Updated last year
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 2 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆67Updated 8 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆47Updated 2 years ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆18Updated last year
• sbhakat / AF-cryptic-pocket
  Cryptic pocket prediction using AlphaFold 2
  ☆22Updated 2 years ago
• xuhuihuang / featuredock
  FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
  ☆23Updated 4 months ago
• rochoa85 / dockECR
  dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
  ☆26Updated 3 years ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆20Updated 5 months ago
• Vfold-RNA / RLDOCK
  ☆31Updated 10 months ago