Alternatives and similar repositories for IGN

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

• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆35Updated 3 years ago
• SigmaGenX / TamGen
  ☆38Updated 4 months ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 2 months ago
• hnlab / BindingNet
  ☆25Updated last year
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆64Updated last year
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆70Updated 7 months ago
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆44Updated last year
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆64Updated this week
• iipharma / transpharmer-repo
  ☆40Updated 7 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• ETHmodlab / de_novo_design_RNN
  Code for "De novo molecular design with chemical language models"
  ☆17Updated 3 years ago
• WeiLab-Biology / DeepProSite
  ☆34Updated last year
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆60Updated 3 months ago
• aivant / ShapeLinker
  ☆24Updated last year
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• smiles724 / ProtMD
  ☆64Updated 4 months ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• zhenglz / OnionNet-SFCT
  Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
  ☆29Updated 10 months ago