OdinZhang / ResGenLinks
3D_Molecular_Generation
☆100Updated 11 months ago
Alternatives and similar repositories for ResGen
Users that are interested in ResGen are comparing it to the libraries listed below
Sorting:
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated 11 months ago
- ☆69Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆64Updated last year
- ☆59Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆88Updated 2 months ago
- ☆126Updated last year
- ☆57Updated 3 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- ☆48Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- my own studied materials and scripts☆54Updated 2 weeks ago
- ☆109Updated 2 years ago
- ☆39Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆101Updated 2 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆78Updated 3 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- ☆143Updated 3 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆81Updated last month
- structure-based explanation methods☆28Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- A universal structure-directed lead optimization☆56Updated 7 months ago
- ☆45Updated 2 months ago
- ☆58Updated 2 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated 10 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- MGA☆44Updated 4 years ago