Alternatives and similar repositories for DeepBlock

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

• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆38Updated 2 months ago
• HXYfighter / 3DMolFormer
  ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
  ☆26Updated 4 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 10 months ago
• iipharma / transpharmer-repo
  ☆37Updated 5 months ago
• batistagroup / DirectMultiStep
  DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
  ☆19Updated last month
• QiaoyuHu89 / DiffGui
  ☆14Updated this week
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆52Updated 4 months ago
• yydiao1025 / Macformer
  ☆35Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• youqingxiaozhua / DeepTernary
  ☆31Updated last month
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆32Updated last year
• sekijima-lab / DiffInt
  ☆17Updated 3 months ago
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• molML / RUSH
  ☆16Updated 6 months ago
• bytedance / DecompOpt
  ☆14Updated 10 months ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• chang-group / ICoN
  Conformational sampling for highly flexible proteins
  ☆12Updated 7 months ago
• karma211225 / KarmaLoop
  Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop
  ☆14Updated last year
• MolecularAI / PepINVENT
  ☆46Updated 5 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 6 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• biomed-AI / DiffDec
  ☆37Updated last year
• SongXia-NYU / DiffDock-NMDN
  ☆16Updated 10 months ago
• Fenglei104 / DiffPROTACs
  ☆18Updated last year
• zhaisilong / awesome-peptide
  List of papers about Peptide research using Deep Learning
  ☆27Updated 4 months ago