Alternatives and similar repositories for DrugGen

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

• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• egg5154 / MolSculptor
  ☆19Updated 2 months ago
• AspirinCode / GENiPPI
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆15Updated 8 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• CQ-zhang-2016 / Rag2Mol
  Structure-based drug design based on Retrieval Augmented Generation
  ☆18Updated 10 months ago
• Merck / AbLEF
  Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction
  ☆12Updated last year
• Shihang-Wang-58 / papers_for_molecular_representation
  Collection of papers for Molecular Representation using AI
  ☆22Updated last month
• ashipiling / GPT_3DSMILES
  ☆30Updated this week
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• LumosBio / MolData
  A Molecular Benchmark for Disease and Target Based Machine Learning
  ☆25Updated 3 years ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆14Updated last year
• aivant / ShapeLinker
  ☆23Updated last year
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆20Updated 10 months ago
• idrugLab / ADCNet
  ☆21Updated 3 months ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆28Updated this week
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆38Updated 2 months ago
• biomed-AI / DiffDec
  ☆37Updated last year
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• Genentech / ringer
  RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
  ☆20Updated last year
• jule-c / flowr
  ☆47Updated last month
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• FatimaNoor74 / VirtuDockDL
  ☆19Updated 11 months ago
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• AspirinCode / iPPIGAN
  De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
  ☆20Updated 9 months ago
• SigmaGenX / TamGen
  ☆38Updated 2 months ago
• grisoniFr / de_novo_design_RNN
  Code for "De novo molecular design with chemical language models"
  ☆13Updated 3 years ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• MolecularAI / exahustive_search_mol2mol
  ☆11Updated 11 months ago