OdinZhang / SDEGen
☆22Updated last year
Alternatives and similar repositories for SDEGen:
Users that are interested in SDEGen are comparing it to the libraries listed below
- ☆16Updated 2 years ago
- ☆32Updated 2 years ago
- ☆20Updated 2 years ago
- ☆25Updated 10 months ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆18Updated 4 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]☆63Updated 2 weeks ago
- ☆15Updated 3 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 6 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆27Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 10 months ago
- ☆10Updated 6 months ago
- ☆25Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆23Updated 10 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆63Updated 4 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- ☆34Updated 3 weeks ago
- ☆26Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated last week
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- my own studied materials and scripts☆48Updated 2 weeks ago
- ☆55Updated last year
- ☆22Updated 8 months ago
- ☆26Updated last year
- ☆16Updated 4 months ago
- ☆24Updated 6 months ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- ☆45Updated 4 years ago
- ☆26Updated 2 years ago