PROTACs / PROTAC-STAN
Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework
☆11Updated 3 months ago
Alternatives and similar repositories for PROTAC-STAN:
Users that are interested in PROTAC-STAN are comparing it to the libraries listed below
- Integrative modeling of PROTAC-mediated ternary complex☆26Updated 2 years ago
- ☆19Updated 2 years ago
- ☆13Updated 6 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- ☆15Updated 3 years ago
- ☆12Updated 3 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆11Updated 11 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated last year
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 7 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated 10 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated this week
- ☆33Updated 3 years ago
- ☆33Updated last year
- ☆25Updated 5 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- ☆25Updated 9 months ago
- ☆26Updated 2 years ago
- ☆12Updated 9 months ago
- Python package to facilitate the use of popular docking software☆16Updated last year
- ☆18Updated 2 years ago
- ☆10Updated 9 months ago
- ☆14Updated 2 years ago
- ☆33Updated last month
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆17Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 8 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- ☆36Updated last year