Alternatives and similar repositories for KPGT

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

• guaguabujianle / MGraphDTA
  ☆58Updated last year
• pyli0628 / MPG
  ☆47Updated 2 years ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• peizhenbai / DrugBAN
  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
  ☆133Updated 2 years ago
• JK-Liu7 / AttentionMGT-DTA
  ☆40Updated last year
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆204Updated 3 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆129Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆128Updated 2 years ago
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆49Updated 11 months ago
• OpenDrugAI / AttentiveFP
  ☆187Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆31Updated 3 years ago
• ZangXuan / HiMol
  ☆27Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆133Updated 3 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆70Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• yazdanimehdi / AttentionSiteDTI
  This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…
  ☆46Updated last year
• biomed-AI / MUSE
  ☆26Updated last year
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆302Updated 2 years ago
• zhaoqichang / HpyerAttentionDTI
  HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…
  ☆44Updated 4 years ago
• microsoft / Drug-Interaction-Research
  ☆94Updated 2 years ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆199Updated 9 months ago
• SY575 / CMPNN
  ☆77Updated 2 years ago
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆121Updated this week
• HICAI-ZJU / KANO
  Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".
  ☆135Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆75Updated 2 years ago
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆39Updated 3 years ago
• UnHans / HimGNN
  The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…
  ☆22Updated 2 years ago
• HannesStark / 3DInfomax
  Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
  ☆170Updated 2 years ago
• ChengF-Lab / ImageMol
  ☆46Updated 2 years ago