uta-smile / CD-MVGNN

Related projects ⓘ

Alternatives and complementary repositories for CD-MVGNN

• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆44Updated last year
• ZhaoningYu1996 / HM-GNN
  Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"
  ☆31Updated last year
• kanz76 / SSI-DDI
  ☆25Updated 3 years ago
• stardj / PharmHGT
  Repo of pharmacophoric constrained heterogeneous-graph-transformer
  ☆15Updated last year
• Layne-Huang / CoaDTI
  Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2
  ☆16Updated last year
• 595693085 / WGNN-DTA
  a method for CPI and DTA prediction
  ☆9Updated 2 years ago
• guaguabujianle / MGraphDTA
  ☆43Updated 2 months ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆30Updated 2 years ago
• mindrank-ai / PharmHGT
  ☆17Updated last year
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆31Updated 3 years ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆17Updated 2 years ago
• lvqiujie / Mol2Context-vec
  ☆13Updated 2 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆19Updated 6 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆60Updated 6 months ago
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆27Updated 2 years ago
• xzenglab / KG-MTL
  Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"
  ☆26Updated 2 years ago
• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆26Updated last year
• KemperNiklas / FragNet
  Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs
  ☆14Updated this week
• teslacool / UnifiedMolPretrain
  Unified 2D and 3D Pre-Training of Molecular Representations
  ☆27Updated 2 years ago
• zhiqiangzhongddu / KDD2023_KaGML_DrugDiscovery_Tutorial
  Materials for KDD2023 tutorial: Knowledge-augmented Graph Machine Learning for Drug Discovery: from Precision to Interpretability
  ☆19Updated last year
• yuanweining / FusionDTA
  ☆17Updated 8 months ago
• nomoresomethingwentwrong / GLDM
  ☆13Updated 7 months ago
• xianyuco / SS-GNN
  ☆22Updated 2 years ago
• jiachengxiong / Literature
  Recent application of graph neural network in drug discovery
  ☆10Updated 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…
  ☆24Updated 8 months ago
• HUBioDataLab / ProtBENCH
  ☆11Updated 5 months ago
• uta-smile / SMILES-BERT
  ☆40Updated 4 years ago
• lihan97 / KPGT
  codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
  ☆90Updated last month
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆42Updated last year
• biomed-AI / MUSE
  ☆24Updated 7 months ago