mindrank-ai / PharmHGTLinks
☆22Updated 2 years ago
Alternatives and similar repositories for PharmHGT
Users that are interested in PharmHGT are comparing it to the libraries listed below
Sorting:
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆120Updated last year
- ☆51Updated 5 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆47Updated 2 years ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆36Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆82Updated 3 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 years ago
- ☆96Updated 5 months ago
- ☆77Updated 2 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- ☆49Updated 3 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆52Updated 2 years ago
- ☆58Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆46Updated 2 years ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆135Updated last year
- ☆64Updated 4 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- Molecular Hypergraph Neural Network☆43Updated 5 months ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆51Updated 3 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆79Updated 2 years ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Updated 9 months ago
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆133Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Updated 2 years ago
- a novel DTA predition method using graph neural network☆75Updated 2 years ago