Protein embeddings to describe local electrostic enviroments
Project description
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 peg
Peg 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.
Project details
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