OdinZhang / ResGenLinks
3D_Molecular_Generation
☆99Updated 9 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.☆71Updated last week
- ☆50Updated last month
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆63Updated last year
- ☆123Updated last year
- ☆68Updated last year
- ☆45Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆69Updated 9 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- ☆58Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- ☆105Updated 2 years ago
- ☆38Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆43Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆76Updated last month
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- my own studied materials and scripts☆52Updated 4 months ago
- Diffusion model based protein-ligand flexible docking method☆110Updated 10 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆96Updated 2 weeks ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated last month
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆139Updated last month
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆63Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated last month
- ☆32Updated 2 years ago
- ☆56Updated 2 years ago
- De novo drug design with deep interactome learning☆36Updated 2 months ago
- structure-based explanation methods☆28Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year