OdinZhang / ResGenLinks
3D_Molecular_Generation
☆97Updated 8 months ago
Alternatives and similar repositories for ResGen
Users that are interested in ResGen are comparing it to the libraries listed below
Sorting:
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆63Updated last month
- ☆67Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆62Updated last year
- my own studied materials and scripts☆52Updated 3 months ago
- ☆122Updated last year
- ☆44Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- ☆48Updated 3 weeks ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- ☆37Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆57Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated 3 weeks ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆69Updated 8 months ago
- ☆104Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆93Updated 4 months ago
- Diffusion model based protein-ligand flexible docking method☆108Updated 9 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆74Updated 3 weeks ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆62Updated last year
- A universal structure-directed lead optimization☆45Updated 4 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- MGA☆44Updated 4 years ago
- ☆56Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆76Updated last month
- ☆136Updated last week
- structure-based explanation methods☆27Updated last year
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆40Updated last year
- De novo drug design with deep interactome learning☆36Updated last month