lihan97 / KPGT

Related projects ⓘ

Alternatives and complementary repositories for KPGT

• guaguabujianle / MGraphDTA
  ☆44Updated 2 months ago
• pyli0628 / MPG
  ☆43Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆102Updated last year
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆82Updated 5 months ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆17Updated 2 years ago
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆112Updated last year
• chao1224 / GraphMVP
  Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)
  ☆168Updated 2 years ago
• kanz76 / SSI-DDI
  ☆25Updated 3 years ago
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆27Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆85Updated 2 weeks ago
• biomed-AI / MolRep
  MolRep: A Deep Representation Learning Library for Molecular Property Prediction
  ☆126Updated 2 months ago
• idrugLab / FP-GNN
  ☆56Updated last year
• ZangXuan / HiMol
  ☆20Updated last year
• linjc16 / R2-DDI
  [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".
  ☆13Updated 8 months ago
• peizhenbai / DrugBAN
  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
  ☆106Updated last year
• 23AIBox / 23AIBox-CSCo-DTA
  ☆10Updated 7 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 7 months ago
• JK-Liu7 / AttentionMGT-DTA
  ☆25Updated 5 months 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！
  ☆17Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆70Updated 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…
  ☆25Updated 8 months ago
• microsoft / Drug-Interaction-Research
  ☆77Updated last year
• QizhiPei / SSM-DTA
  SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)
  ☆48Updated 5 months ago
• guaguabujianle / SA-DDI
  ☆19Updated last year
• biomed-AI / MUSE
  ☆24Updated 8 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆69Updated 6 months ago
• zhaoqichang / HpyerAttentionDTI
  HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…
  ☆39Updated 3 years ago
• uta-smile / SMILES-BERT
  ☆43Updated 4 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆42Updated last year