xianyuco / SS-GNNLinks
☆24Updated 4 months ago
Alternatives and similar repositories for SS-GNN
Users that are interested in SS-GNN are comparing it to the libraries listed below
Sorting:
- ☆24Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- ☆32Updated 2 years ago
- ☆15Updated 4 years ago
- ☆17Updated 3 years ago
- ☆17Updated 3 years ago
- ☆49Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- ☆22Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- ☆56Updated last year
- my own studied materials and scripts☆56Updated last month
- ☆28Updated 2 years ago
- ☆26Updated last year
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆20Updated 11 months ago
- ☆31Updated 3 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆37Updated 6 months ago
- ☆28Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- 3D_Molecular_Generation☆101Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated last week
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year