lihan97 / KPGTLinks
codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)
☆116Updated last year
Alternatives and similar repositories for KPGT
Users that are interested in KPGT are comparing it to the libraries listed below
Sorting:
- ☆47Updated 2 years ago
- ☆56Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆126Updated 2 years ago
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆131Updated 2 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆200Updated 3 years ago
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆40Updated last year
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆47Updated 10 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆54Updated last year
- Papers about Structure-based Drug Design (SBDD)☆127Updated last month
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆44Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆27Updated 2 years ago
- ☆26Updated last year
- ☆186Updated 2 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 8 months ago
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆116Updated last year
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆125Updated 2 years ago
- ☆67Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 5 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆169Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆76Updated 2 years ago
- ☆64Updated 4 years ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆17Updated 2 years ago