linjc16 / R2-DDILinks
[BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".
☆13Updated last year
Alternatives and similar repositories for R2-DDI
Users that are interested in R2-DDI are comparing it to the libraries listed below
Sorting:
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆120Updated 2 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆28Updated last year
- ☆11Updated 4 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 5 months ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆114Updated 9 months ago
- ☆13Updated 8 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆68Updated last year
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆122Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆30Updated 10 months ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆43Updated 6 months ago
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆55Updated 6 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆192Updated 2 years ago
- [RECOMB 2023] Official implementation of "Pisces: A combo-wise contrastive learning approach to synergistic drug combination prediction".☆14Updated last year
- ☆19Updated last year
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆18Updated 2 years ago
- ☆24Updated 2 years ago
- ☆52Updated 10 months ago
- ☆64Updated 4 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆30Updated last month
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions☆20Updated 6 months ago
- ☆35Updated last year
- ☆37Updated last year
- The official implementation of dual-view molecule pre-training.☆42Updated 3 years ago
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- ☆28Updated 4 years ago
- ☆13Updated 2 years ago