Protein Environment Graph Embeddings (PEGE)
Protein embeddings to describe local electrostic environments
Installation & Basic Usage
PEGE is installable from the Pypi repo:
python3 -m pip install pege
Pytorch Geometry also needs to be installed
In order for the structure preprocessing to work python2 and gawk need to installed.
apt install python2 gawk
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()
all_res_embs = protein.get_all_res_embs(chain="A")
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.
1 maintainer
Metadata
1 maintainer
Release files for pege 1.2.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| pege-1.2.1.tar.gz | 9.5 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pege-1.2.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 19.0 MB
Release files / pege-1.2.1.tar.gz
| Download URL | pege-1.2.1.tar.gz |
|---|---|
| Size | 9.5 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/3.4.2 importlib_metadata/4.8.1 pkginfo/1.8.2 requests/2.24.0 requests-toolbelt/0.9.1 tqdm/4.51.0 CPython/3.8.5
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Release files / pege-1.2.1-py3-none-any.whl
| Download URL | pege-1.2.1-py3-none-any.whl |
|---|---|
| Size | 9.5 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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twine/3.4.2 importlib_metadata/4.8.1 pkginfo/1.8.2 requests/2.24.0 requests-toolbelt/0.9.1 tqdm/4.51.0 CPython/3.8.5
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