QiaoyuHu89 / DiffGuiLinks
☆54Updated 3 weeks 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☆100Updated last year
- ☆70Updated last year
- A universal structure-directed lead optimization☆61Updated 8 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆67Updated 4 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆49Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆69Updated last year
- ☆109Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆57Updated last month
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- ☆39Updated 2 years ago
- ☆38Updated 4 months ago
- ☆17Updated 3 years ago
- ☆38Updated last year
- ☆41Updated 8 months ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆23Updated 9 months ago
- ☆127Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆92Updated last month
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆64Updated 3 weeks ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆81Updated 4 months ago
- ☆61Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- my own studied materials and scripts☆55Updated last month
- structure-based explanation methods☆28Updated last year
- ☆27Updated last year