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
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- ☆21Updated 3 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆41Updated 2 years ago
- ☆67Updated 5 years ago
- ☆28Updated 2 years ago
- ☆55Updated last year
- ☆78Updated last year
- ☆37Updated 4 years ago
- ☆60Updated 2 years ago
- ☆55Updated 2 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆48Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated 10 months ago
- Fusion models for Atomic and molecular STructures (FAST)☆92Updated 2 years ago
- PIGNet source code☆53Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 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
- 3D_Molecular_Generation☆100Updated 10 months ago
- ☆36Updated 6 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- MCMG_V1☆75Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- ☆39Updated 4 years ago
- MGA☆44Updated 4 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆72Updated last year