Fenglei104 / DeepPROTACs
☆53Updated 2 years ago
Alternatives and similar repositories for DeepPROTACs:
Users that are interested in DeepPROTACs are comparing it to the libraries listed below
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆50Updated last month
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated 11 months ago
- ☆62Updated 2 years ago
- ☆28Updated 2 years ago
- ☆72Updated last year
- ☆58Updated last year
- ☆33Updated last month
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆33Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆57Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated last week
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆70Updated 3 months ago
- ☆32Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated 2 weeks ago
- Integrative modeling of PROTAC-mediated ternary complex☆26Updated 3 years ago
- ☆33Updated 3 years ago
- ☆18Updated 9 months ago
- ☆27Updated last month
- ☆88Updated 2 months ago
- Transformer Based Language Model for Peptide Property Prediction☆45Updated 9 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated last month
- ☆112Updated 9 months ago
- De novo drug design with deep interactome learning☆33Updated 11 months ago
- a multi-property optimization method.☆32Updated 4 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆24Updated 7 months ago