idrugLab / FP-GNN

Related projects ⓘ

Alternatives and complementary repositories for FP-GNN

• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆27Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆43Updated 2 months ago
• lifanchen-simm / transformerCPI2.0
  Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…
  ☆58Updated last year
• wzxxxx / MGA
  MGA
  ☆42Updated 3 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆25Updated 5 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆25Updated last year
• zhaolongNCU / 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！
  ☆17Updated last year
• schrojunzhang / KarmaDock
  ☆92Updated 3 months ago
• ComputArtCMCG / PLANET
  ☆48Updated 10 months ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆20Updated 6 months ago
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆29Updated last year
• JU-HuaY / MFR
  ☆10Updated last year
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆30Updated 2 years ago
• idrugLab / FG-BERT
  Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
  ☆24Updated 9 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆58Updated 6 months ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆18Updated last year
• CAODH / EquiScore
  ☆60Updated 10 months ago
• guaguabujianle / GIGN
  ☆35Updated last year
• ChengF-Lab / ImageMol
  ☆41Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆17Updated 2 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆75Updated last year
• Jamson-Zhong / Graph2Edits
  ☆29Updated last year
• biomed-AI / MUSE
  ☆24Updated 7 months ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆91Updated last week
• guaguabujianle / EHIGN_PLA
  ☆11Updated 5 months ago
• zhaoqichang / HpyerAttentionDTI
  HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…
  ☆37Updated 3 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆82Updated this week
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆81Updated 4 months ago
• HaotianZhangAI4Science / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆42Updated this week