Alternatives and similar repositories for gendock

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

• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆17Updated last year
• NRGlab / FlexAID
  Flexible Artificial Intelligence Docking
  ☆17Updated 3 years ago
• chengwang88 / vina4dv
  A fork of Autodock Vina for DeltaVina scoring function
  ☆8Updated 8 years ago
• pepamengual / UEP
  ☆9Updated 2 years ago
• ambrishroy / LIGSIFT
  LIGSIFT: An open-source tool for ligand structural alignment and virtual screening
  ☆15Updated 7 years ago
• agrybauskas / rotag
  A collection of tools that generate and analyse side-chain rotamer libraries
  ☆10Updated last week
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆43Updated 2 years ago
• yuedongyang / DLIGAND2
  ☆12Updated 6 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• bigginlab / WaterDock-2.0
  WaterDock-2.0 implementation with Akshay Sridhar
  ☆15Updated last year
• LPDI-EPFL / FunFolDesData
  Rosetta FunFolDes – a general framework for the computational design of functional proteins.
  ☆19Updated 6 years ago
• reymond-group / PeptideDesignGA
  ☆15Updated 4 years ago
• vanderkamp / enlighten2
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆19Updated 3 years ago
• alberdom88 / moo-denovo
  Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization
  ☆13Updated 5 years ago
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆20Updated 7 months ago
• jacquesboitreaud / vina_docking
  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina
  ☆22Updated 5 years ago
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• ykurumida / ab-predictor
  test
  ☆14Updated 4 years ago
• XiaohuaZhangLLNL / VinaLC
  A parallel molecular docking program based on AutoDock Vina
  ☆19Updated this week
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• CSB-KaracaLab / prot-on
  This repo contains the collection of codes to find designer interfacial mutations
  ☆17Updated last year
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• volkamerlab / kissim_app
  Kinome-wide structural pocket similarity
  ☆10Updated 2 years ago
• susanhleung / SuCOS
  ☆19Updated 6 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated last month
• floWneffetS / tutorial_dcTMD
  Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
  ☆10Updated 11 months ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• NRGlab / Surfaces
  ☆14Updated 4 months ago