Alternatives and similar repositories for GraphormerDTI

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

• idrugLab / FP-GNN
  ☆67Updated 2 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆28Updated last year
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆40Updated last year
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• ZhaoLongSYSU / Demo-GraphDTA-
  小白入门DTA方向，GraphDTA作为经典的DTA模型，对于python基础不好，深度学习代码实操不强者，本github将代码细致的进行注释阐述，旨在记录学习过程，帮助更多入门者尽快入门！
  ☆25Updated 2 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• zhaoqichang / AttentionDTA_TCBB
  AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism
  ☆15Updated 3 years ago
• Layne-Huang / PMDM
  ☆141Updated 4 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• schrojunzhang / KarmaDock
  ☆127Updated last year
• ZangXuan / HiMol
  ☆27Updated 2 years ago
• LiZhang30 / GPCNDTA
  GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
  ☆17Updated 10 months ago
• JU-HuaY / MMDG-DTI
  ☆12Updated 6 months ago
• guaguabujianle / MGraphDTA
  ☆58Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆198Updated 9 months ago
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆100Updated last year
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆55Updated last month
• ComputArtCMCG / PLANET
  ☆70Updated last year
• JU-HuaY / MFR
  ☆10Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆131Updated 2 months ago
• KSUN63 / DeepDTA-Pytorch
  Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
  ☆14Updated 11 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆65Updated 2 years ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆42Updated 2 years ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆67Updated 4 months ago
• ranzhran / MHTAN-DTI
  ☆12Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• biomed-AI / MUSE
  ☆26Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 11 months ago