CADD-SC / ADMET_Prediction_ModelsLinks
☆11Updated 3 weeks 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
- Benchmarking active learning protocols for ligand binding affinity prediction☆11Updated last year
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated last month
- ☆19Updated 6 months ago
- ☆18Updated 9 months ago
- ☆13Updated 9 months ago
- ☆14Updated 3 years ago
- ☆11Updated last year
- ☆9Updated 3 years ago
- ☆12Updated last year
- This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals…☆8Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- Paper for release☆11Updated 3 years ago
- Python API for Pharmer☆12Updated 6 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Updated 8 months 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
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- ☆16Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 3 months ago
- ☆12Updated 3 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Workshops on Computational Biology organized by our lab☆10Updated last year
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆12Updated 4 months ago
- Official Implementation of CompassDock☆20Updated 9 months ago
- ☆12Updated 7 months ago