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compassdock

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0.1.4 compassdock-0.1.4-py3-none-any.whl

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Project: compassdock
Version: 0.1.4
Filename: compassdock-0.1.4-py3-none-any.whl
Download: [link]
Size: 255485
MD5: d9b4558212722713ec3b34e95d0e16ff
SHA256: dd6bc132cc26dd3a33cabf3dee8981a45cf79d46081953116e1342077bb4f8d6
Uploaded: 2024-10-08 13:06:10 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: compassdock
Version: 0.1.4
Summary: A comprehensive accurate assessment approach for deep learning based molecular docking
Author-Email: Ahmet Sarigun <Ahmet.Sariguen[at]mdc-berlin.de>
Maintainer-Email: Ahmet Sarigun <Ahmet.Sariguen[at]mdc-berlin.de>
License: Modified MIT License for Academic and Non-Commercial Use Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software for academic, research, and educational purposes without restriction, including without limitation the rights to use, copy, modify, merge, publish, and distribute copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: Commercial use of this software or any derivative works is prohibited without explicit permission and a separate commercial license from the copyright holders. The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Classifier: Development Status :: 3 - Alpha
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Programming Language :: Python :: 3.11
Requires-Python: <3.12,>=3.11
Requires-Dist: torch (==2.3.0)
Requires-Dist: torchvision (==0.18.0)
Requires-Dist: torchaudio (==2.3.0)
Requires-Dist: PyYAML
Requires-Dist: scipy
Requires-Dist: networkx[default]
Requires-Dist: biopython
Requires-Dist: rdkit-pypi
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Requires-Dist: pandas (==2.0.0)
Requires-Dist: biopandas
Requires-Dist: prody (==2.4.1)
Requires-Dist: torch-geometric (==2.5.3)
Requires-Dist: rdkit (==2023.9.6)
Requires-Dist: py3dmol (==2.1.0)
Requires-Dist: prolif (==2.0.3)
Requires-Dist: pybel (==0.15.5)
Requires-Dist: seaborn
Requires-Dist: omegaconf
Requires-Dist: ml-collections
Requires-Dist: dm-tree
Requires-Dist: modelcif (==1.0)
Requires-Dist: einops (==0.8.0)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4835 characters]

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top_level.txt

compassdock