pege 0.0.2

Protein embeddings to describe local electrostic enviroments

Protein Enviroment Graph Embeddings (PEGE)

Protein embeddings to describe local electrostic enviroments

Installation & Basic Usage

PEG is installable from the Pypi repo:

python3 -m pip install pege

Pege can be used to obtain protein embeddings as well as descriptors for specific atom_numbers from a pdb file:

from pege import Pege

protein = Pege(<pdb>)
protein_emb = protein.get_protein()
atoms_emb = protein.get_atoms([<atom_numbers>])

Documentation

TBA

License

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Contacts

Please submit a github issue to report bugs and to request new features. Alternatively, you may email the developer directly.