biomed-AI / PROTAC-RL
☆60Updated 2 years ago
Alternatives and similar repositories for PROTAC-RL:
Users that are interested in PROTAC-RL are comparing it to the libraries listed below
- ☆69Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆24Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆57Updated last year
- Diffusion model based protein-ligand flexible docking method☆102Updated 4 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆47Updated last week
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆64Updated last month
- ☆38Updated 4 years ago
- Accurate ADMET Prediction with XGBoost☆32Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆105Updated this week
- ☆27Updated last year
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆116Updated 2 years ago
- Biosynthesis Navigator for Natural Products☆44Updated 2 years ago
- ☆28Updated 2 years ago
- ☆50Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆32Updated 3 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆32Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆27Updated 3 months ago
- ☆38Updated last year
- POLYGON VAE For de novo Polypharmacology☆33Updated 3 weeks ago
- De novo drug design with deep interactome learning☆32Updated 9 months ago
- ☆31Updated last year
- ☆36Updated last year
- Easy to get started with molecular dynamics simulation.☆51Updated 3 weeks ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆19Updated 3 months ago
- ☆107Updated 7 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆56Updated 5 months ago