Alternatives and similar repositories for KPGT

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

• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 3 years ago
• pyli0628 / MPG
  ☆47Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆125Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆53Updated last year
• JK-Liu7 / AttentionMGT-DTA
  ☆39Updated last year
• peizhenbai / DrugBAN
  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
  ☆127Updated 2 years ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆128Updated 11 months ago
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆197Updated 2 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆30Updated 3 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆71Updated last year
• uta-smile / RetroXpert
  ☆64Updated 4 years ago
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆38Updated 3 years ago
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆53Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆28Updated 7 months ago
• OpenDrugAI / AttentiveFP
  ☆186Updated 2 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆124Updated 2 years ago
• uta-smile / SMILES-BERT
  ☆51Updated 4 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆124Updated 2 weeks ago
• biomed-AI / MUSE
  ☆26Updated last year
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆45Updated 8 months ago
• yuyangw / MolCLR
  Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
  ☆292Updated last year
• SY575 / CMPNN
  ☆76Updated last year
• ZangXuan / HiMol
  ☆26Updated 2 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• microsoft / Drug-Interaction-Research
  ☆88Updated 2 years ago
• kanz76 / SSI-DDI
  ☆29Updated 4 years ago
• UnHans / HimGNN
  The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…
  ☆21Updated 2 years ago
• yazdanimehdi / AttentionSiteDTI
  This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…
  ☆44Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated 2 years ago