PocketDruggability is a computational tool designed to predict the maximum achievable potency and druggability of protein pockets. By evaluating the geometric and physicochemical properties of protein cavities, this tool helps to identify pockets on target protein for small-molecule binding.
You can calculate features using a given command:
featurize_pocket -in <pdb1> <pdb2> ... <pdbN> -csv <output>.csvWe welcome contributions from the community. If you'd like to contribute to PocketDruggability, please fork the repository and submit a pull request with your changes.
PocketDruggability is released under the MIT License. See the LICENSE file for more details.
For questions or support, please open an issue in the GitHub issue tracker.