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0.3.1 twinbooster-0.3.1-py3-none-any.whl

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Project: twinbooster
Version: 0.3.1
Filename: twinbooster-0.3.1-py3-none-any.whl
Download: [link]
Size: 42973
MD5: b3b2a4384e0ca75fb8f5dc5ddc959f3f
SHA256: da6e44eca2e9d2817ac92e80ff2efccd7fcc3565e03c77c05b36969cb15523cc
Uploaded: 2024-03-22 09:10:44 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: twinbooster
Version: 0.3.1
Summary: Python package for TwinBooster: Synergising Chemical Structures and Bioassay Descriptions for Enhanced Molecular Property Prediction in Drug Discovery
Author-Email: "Maximilian G. Schuh" <m.schuh[at]tum.de>
Project-Url: Repository, https://github.com/maxischuh/TwinBooster
License: MIT License Copyright (c) 2024 Maximilian Schuh 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 without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: 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.
Requires-Python: ==3.8.*
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: torch (==2.0.1)
Requires-Dist: transformers (==4.30.2)
Requires-Dist: datasets
Requires-Dist: tqdm
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: joblib
Requires-Dist: matplotlib
Requires-Dist: lightgbm (==3.3.5)
Requires-Dist: rdkit (==2023.3.2)
Requires-Dist: pynvml
Requires-Dist: ConfigSpace
Requires-Dist: smac
Requires-Dist: optuna
Requires-Dist: jupyterlab
Requires-Dist: pathlib
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1468 characters]

WHEEL

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RECORD

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twinbooster-0.3.1.dist-info/RECORD — —

top_level.txt

twinbooster