CADD-SC / ADMET_Prediction_ModelsLinks
☆12Updated 2 months ago
Alternatives and similar repositories for ADMET_Prediction_Models
Users that are interested in ADMET_Prediction_Models are comparing it to the libraries listed below
Sorting:
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Updated last year
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 3 months ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- ☆13Updated 11 months ago
- ☆11Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆12Updated last year
- Cheminformatics package from the Miranda-Quintana group to identify activity cliffs in efficent ways☆11Updated 4 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- ☆12Updated last year
- ☆14Updated 3 years ago
- ☆19Updated 11 months ago
- ☆20Updated 8 months ago
- ☆12Updated 3 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆20Updated 2 years ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated 2 years ago
- Official Implementation of CompassDock☆20Updated 11 months ago
- Tools for molecular Docking☆26Updated last month
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Updated 10 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago
- ☆12Updated 9 months ago
- Toolkit for synthesis planning☆22Updated this week
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago