PROTACs / PROTAC-STANLinks
Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework
☆11Updated this week
Alternatives and similar repositories for PROTAC-STAN
Users that are interested in PROTAC-STAN are comparing it to the libraries listed below
Sorting:
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- ☆20Updated 2 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆10Updated last year
- Python API for Pharmer☆12Updated 6 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆33Updated last year
- ☆14Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆26Updated 2 years ago
- ☆16Updated 9 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 3 weeks ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated last month
- ☆27Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- ☆25Updated 5 years ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆12Updated 3 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- ☆18Updated 9 months ago
- ☆12Updated 3 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 9 months ago
- ☆63Updated 2 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 8 months ago
- ☆33Updated 3 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆13Updated last year
- Generative models of chemical data for PaccMann^RL☆14Updated 2 years ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆13Updated last year