xianyuco / SS-GNNLinks
☆24Updated 3 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:
- ☆32Updated 2 years ago
- ☆24Updated 2 years ago
- ☆17Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- ☆39Updated 2 years ago
- my own studied materials and scripts☆55Updated last month
- ☆17Updated 3 years ago
- ☆21Updated 2 years ago
- ☆31Updated 3 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆15Updated 4 years ago
- ☆17Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆37Updated 6 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated last week
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆28Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated 11 months ago
- ☆56Updated last year
- ☆26Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated 2 years ago
- ☆17Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆49Updated 2 years ago
- ☆25Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year