moonkisung / 3DGCL
☆9Updated last year
Alternatives and similar repositories for 3DGCL:
Users that are interested in 3DGCL are comparing it to the libraries listed below
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆11Updated last year
- ☆66Updated last year
- Fragment-based Molecular Expansion☆18Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆24Updated 11 months ago
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- MGA☆42Updated 4 years ago
- ☆27Updated 9 months ago
- ☆19Updated 4 months ago
- ☆33Updated last year
- ☆15Updated 3 years ago
- ☆18Updated last year
- my own studied materials and scripts☆43Updated last month
- Geometry Deep Learning for Drug Discovery and Life Science☆60Updated 8 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- ☆24Updated 3 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆29Updated this week
- Benchmarking compound activity prediction for real-world drug discovery applications☆11Updated 8 months ago
- ☆18Updated last year
- ☆30Updated 9 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆24Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆51Updated last year
- ☆53Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 8 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆24Updated 6 months ago
- ☆20Updated 3 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆29Updated 8 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated 10 months ago
- source code for deppHop☆33Updated 2 years ago
- ☆12Updated 2 years ago