Alternatives and similar repositories for KPGT:

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

• guaguabujianle / MGraphDTA
  ☆46Updated 5 months ago
• JK-Liu7 / AttentionMGT-DTA
  ☆32Updated 8 months ago
• pyli0628 / MPG
  ☆45Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆110Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆19Updated 2 years ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆65Updated 9 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆93Updated 2 months ago
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• peizhenbai / DrugBAN
  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
  ☆114Updated 2 years ago
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆93Updated 8 months ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆127Updated 5 months ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆74Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆29Updated 2 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆116Updated last year
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆52Updated 8 months ago
• ZangXuan / HiMol
  ☆22Updated last year
• idrugLab / FP-GNN
  ☆59Updated last year
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆180Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 10 months ago
• Layne-Huang / PMDM
  ☆118Updated 3 months ago
• uta-smile / SMILES-BERT
  ☆44Updated 4 years ago
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆26Updated last week
• kanz76 / SSI-DDI
  ☆25Updated 3 years ago
• 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！
  ☆18Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆77Updated 9 months ago
• zhaoqichang / HpyerAttentionDTI
  HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…
  ☆39Updated 3 years ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• dmis-lab / PerceiverCPI
  Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction
  ☆36Updated last year
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆46Updated 2 years ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆33Updated 5 months ago