Alternatives and similar repositories for dockingML

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

• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆33Updated 5 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆29Updated last year
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆19Updated last year
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆47Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated 3 years ago
• PaulaJLR / BLinDPyPr
  Perform probe-guided blind docking with FTMap and DOCK6
  ☆10Updated 2 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆33Updated 4 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• DeepRank / iScore
  iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…
  ☆31Updated 3 years ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆74Updated 2 years ago
• iwatobipen / chemo_info
  ☆32Updated 8 months ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆44Updated 3 years ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆56Updated 3 months ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆64Updated last week
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆34Updated 2 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆56Updated last week
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated this week
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆43Updated 2 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆17Updated 5 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆47Updated last year
• hocinebib / PisaPy
  Python code to automatically interact with PDBePISA web server
  ☆10Updated 3 years ago
• tekpinar / correlationplus
  A Python package to calculate, visualize and analyze correlation maps of proteins.
  ☆43Updated 3 months ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 7 months ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆45Updated last month