mindrank-ai / PharmHGT
☆21Updated 2 years ago
Alternatives and similar repositories for PharmHGT
Users that are interested in PharmHGT are comparing it to the libraries listed below
Sorting:
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆48Updated 2 years ago
- ☆48Updated 4 years ago
- ☆65Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 2 years ago
- ☆47Updated last year
- ☆23Updated 2 years ago
- Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…☆30Updated 6 months ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- Molecular Hypergraph Neural Network☆35Updated 9 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- ☆44Updated last year
- The implementation of Modof for Molecule Optimization☆28Updated last year
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- ☆69Updated 11 months ago
- MGA☆42Updated 4 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆108Updated 7 months ago
- ☆12Updated 3 years ago
- semi-supervised learning for molecular property prediction☆50Updated 3 years ago
- ☆46Updated 2 years ago
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆48Updated 3 years ago
- MCMG_V1☆72Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆17Updated 4 months ago
- ☆24Updated 2 years ago
- ☆54Updated 2 years ago