Alternatives and similar repositories for D2

Users that are interested in D2 are comparing it to the libraries listed below

• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆119Updated 2 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆69Updated 11 months ago
• oxpig / DeLinker
  ☆125Updated 2 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆35Updated 11 months ago
• SeonghwanSeo / PharmacoNet
  Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
  ☆71Updated 2 weeks ago
• jamesgleave / DD_protocol
  Official repository for the Deep Docking protocol
  ☆120Updated last year
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆53Updated 2 weeks ago
• LLNL / FAST
  Fusion models for Atomic and molecular STructures (FAST)
  ☆91Updated last year
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆51Updated 4 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆118Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆73Updated 2 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆104Updated 3 weeks ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆105Updated 7 months ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆87Updated 2 years ago
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• swansonk14 / admet_ai
  Training and prediction scripts for Chemprop models trained on ADMET datasets
  ☆167Updated 8 months ago
• samuelmurail / docking_py
  Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily…
  ☆61Updated 4 months ago
• schrojunzhang / KarmaDock
  ☆113Updated 9 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆123Updated last week
• LPDI-EPFL / DrugFlow
  Multi-domain Distribution Learning for De Novo Drug Design
  ☆87Updated 2 months ago
• Mickdub / gvp
  ☆80Updated last year
• cosconatilab / PyRMD
  AI-powered Virtual Screening
  ☆82Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆65Updated 2 months ago
• MolecularAI / ReinventCommunity
  ☆164Updated 3 years ago