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readme: add link to neural fp paper + make icon smaller
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JochenSiegWork committed Oct 10, 2024
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# MolPipeline
MolPipeline is a Python package for processing molecules with RDKit in scikit-learn.

<p align="center"><img src=".github/molpipeline.png" height="250"/></p>
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<p align="center"><img src=".github/molpipeline.png" height="200"/></p>

## Background

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Further links: [arXiv](https://chemrxiv.org/engage/chemrxiv/article-details/661fec7f418a5379b00ae036)

Feldmann CW, Sieg J, and Mathea M, Analysis of uncertainty of neural
fingerprint-based models, 2024
[Feldmann CW, Sieg J, and Mathea M, Analysis of uncertainty of neural
fingerprint-based models, 2024](https://doi.org/10.1039/D4FD00095A)
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Further links: [repository](https://github.com/basf/neural-fingerprint-uncertainty)

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