QiaoyuHu89 / DiffGuiLinks
☆57Updated 2 months ago
Alternatives and similar repositories for DiffGui
Users that are interested in DiffGui are comparing it to the libraries listed below
Sorting:
- ☆74Updated 2 years ago
- 3D_Molecular_Generation☆103Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆41Updated 5 months ago
- ☆48Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 5 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆100Updated last week
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆60Updated last month
- A universal structure-directed lead optimization☆63Updated 9 months ago
- ☆81Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆130Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆65Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- ☆61Updated 2 years ago
- ☆21Updated last year
- a multi-property optimization method.☆32Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆84Updated 5 months ago
- my own studied materials and scripts☆58Updated 2 months ago
- ☆16Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆107Updated 4 months ago
- ☆111Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated 2 months ago
- ☆40Updated last year
- ☆56Updated 9 months ago
- ☆41Updated 9 months ago
- ☆27Updated last year