conghaowang / GLDM
☆16Updated 3 months ago
Alternatives and similar repositories for GLDM:
Users that are interested in GLDM are comparing it to the libraries listed below
- ☆16Updated 2 years ago
- ☆22Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆19Updated 2 years ago
- ☆15Updated 3 years ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆17Updated last month
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- ☆22Updated 8 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆64Updated last year
- ☆25Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆31Updated 3 weeks ago
- ☆31Updated 3 weeks ago
- ☆14Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 9 months ago
- ☆24Updated 9 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025]☆62Updated 3 months ago
- ☆26Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆27Updated 4 months ago
- ☆26Updated 2 years ago
- ☆11Updated 10 months ago
- source code for deppHop☆36Updated 2 years ago
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆26Updated 9 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆12Updated 5 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated 3 weeks ago
- ☆52Updated last year
- A universal structure-directed lead optimization☆36Updated 3 weeks ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆28Updated 2 years ago