QiaoyuHu89 / DiffGuiLinks
☆63Updated 3 months ago
Alternatives and similar repositories for DiffGui
Users that are interested in DiffGui are comparing it to the libraries listed below
Sorting:
- 3D_Molecular_Generation☆106Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆41Updated 10 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 6 months ago
- ☆75Updated 2 years ago
- ☆48Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated 2 years ago
- ☆61Updated 6 months ago
- Token-Mol 1.0:tokenized drug design with large language model☆62Updated 2 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- ☆40Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆65Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- A universal structure-directed lead optimization☆70Updated last week
- ☆62Updated 2 years ago
- ☆113Updated 2 years ago
- ☆55Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆109Updated 2 weeks ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- my own studied materials and scripts☆59Updated 3 weeks ago
- ☆27Updated last year
- A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)☆23Updated last year
- ☆132Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆72Updated last year
- ☆16Updated last year
- ☆21Updated last year
- ☆44Updated 6 months ago
- ☆17Updated 3 years ago
- ☆40Updated last year