jaechanglim / DTI_PDBbindLinks
☆33Updated 3 years ago
Alternatives and similar repositories for DTI_PDBbind
Users that are interested in DTI_PDBbind are comparing it to the libraries listed below
Sorting:
- graph generative model for molecule☆39Updated 5 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆41Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆21Updated 3 years ago
- PIGNet source code☆52Updated 3 years ago
- ☆37Updated 4 years ago
- ☆67Updated 5 years ago
- ☆49Updated last month
- ☆55Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆66Updated 8 months ago
- ☆58Updated 2 years ago
- ☆28Updated 2 years ago
- MGA☆44Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Fragment-based Molecular Expansion☆20Updated last year
- 3D_Molecular_Generation☆99Updated 9 months ago
- ☆32Updated 2 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- ☆44Updated 2 years ago
- my own studied materials and scripts☆52Updated 4 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- ☆128Updated 2 years ago
- ☆38Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- ☆78Updated last year
- ☆58Updated last year
- ☆26Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆63Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆69Updated 9 months ago