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docktgrid

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0.0.2 docktgrid-0.0.2-py3-none-any.whl

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Project: docktgrid
Version: 0.0.2
Filename: docktgrid-0.0.2-py3-none-any.whl
Download: [link]
Size: 16424
MD5: 1cbff35058e6a2d1ec4d39d3be6621ab
SHA256: ad631aa1bc6ca7a7fc47e68394d50ddfe16891cfdfaf21c4b80c2b2680fe83a9
Uploaded: 2024-03-19 20:46:10 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: docktgrid
Version: 0.0.2
Summary: Create customized voxel representations of protein-ligand complexes using GPU.
Author-Email: Matheus Müller Pereira da Silva <matheusp[at]posgrad.lncc.br>
Project-Url: Homepage, https://github.com/gmmsb-lncc/docktgrid
License: LGPL-3.0-only
Keywords: voxel-grid,deep-learning,molecular-docking,virtual-screening
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Environment :: GPU
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Requires-Python: >=3.11
Requires-Dist: torch (<3.0.0,>=2.1.0)
Requires-Dist: biopandas (<1.0.0,>=0.4.1)
Requires-Dist: scipy (<2.0.0,>=1.11.3)
Requires-Dist: numpy (<2.0.0,>=1.26.1)
Requires-Dist: black; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Provides-Extra: dev
Description-Content-Type: text/x-rst
License-File: COPYING.LESSER
[Description omitted; length: 2278 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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docktgrid/config.py sha256=dlGCnuH9fcpyO_Hx9scePOLqvrvXt0gvhrIhrtmPt3A 210
docktgrid/grid.py sha256=9bBrP1V1IBfAJicrBNYhTfXZ2fFEnTj6PA9nQaLggjs 1959
docktgrid/molecule.py sha256=24OaZCmNY-6RRt_NoJSmvhbADlU-NoKd_Ie-9Js2GAo 2803
docktgrid/molparser.py sha256=jCZTS5LYAh_pTlXOmFqOxKzXoP7MtOPuKBbhM2VQdMU 3658
docktgrid/periodictable.py sha256=RTujYSNM65iKUkIgs8LcZR4mvABKf6q5UcDSCKFXcdw 8511
docktgrid/transforms.py sha256=Fd7p0hpUzMMDjQoKyd5So0cGjCBRI8dKKPy-FYanZpU 1046
docktgrid/view.py sha256=v8JtQKnD3lvwcSu0jByNgcpPdBgqesleWJg61nxeWHc 6264
docktgrid/voxel.py sha256=05VTFU_1dUIk36Cxkazme4EIHYtZMlxi4S6ctnOlSDA 6845
docktgrid/voxel_dataset.py sha256=rX6DDtZvEtknDouC9WKepACNyDQVojDkxtxB6HpOexc 1845
docktgrid-0.0.2.dist-info/COPYING.LESSER sha256=46mU2C5kSwOnkqkw9XQAJlhBL2JAf1_uCD8lVcXyMRg 7652
docktgrid-0.0.2.dist-info/METADATA sha256=hkKM7Mlcx5gYmJ4_OQVMV1u5qeg-vorjSHBKTl2KbMg 3448
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docktgrid-0.0.2.dist-info/top_level.txt sha256=PbbBvwAvBi7zjkTobUXCf3AUQEOsPQhyyp_43je1OBI 10
docktgrid-0.0.2.dist-info/RECORD — —

top_level.txt

docktgrid