j9650 / MedusaGraphLinks
☆28Updated 3 years ago
Alternatives and similar repositories for MedusaGraph
Users that are interested in MedusaGraph are comparing it to the libraries listed below
Sorting:
- ☆41Updated 10 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- ☆17Updated 3 years ago
- ☆17Updated last week
- ☆22Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- ☆32Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆26Updated last year
- ☆57Updated last year
- ☆17Updated 2 years ago
- ☆26Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated last week
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆31Updated 10 months ago
- ☆16Updated 4 years ago
- ☆18Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated 2 years ago
- ☆28Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- ☆16Updated 5 years ago
- ☆40Updated 8 months ago
- Accurate ADMET Prediction with XGBoost☆40Updated 2 years ago
- ☆54Updated 9 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆62Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆28Updated 10 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year