mol_property
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TVect
Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on
Bumps [scikit-learn](https://github.com/scikit-learn/scikit-learn) from 0.21.1 to 1.5.0. Release notes Sourced from scikit-learn's releases. Scikit-learn 1.5.0 We're happy to announce the 1.5.0 release. You can read the release highlights under https://scikit-learn.org/stable/auto_examples/release_highlights/plot_release_highlights_1_5_0.html and...
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Bumps [tqdm](https://github.com/tqdm/tqdm) from 4.32.1 to 4.66.3. Release notes Sourced from tqdm's releases. tqdm v4.66.3 stable cli: eval safety (fixes CVE-2024-34062, GHSA-g7vv-2v7x-gj9p) tqdm v4.66.2 stable pandas: add DataFrame.progress_map (#1549) notebook: fix...
Bumps [numpy](https://github.com/numpy/numpy) from 1.16.3 to 1.22.0. Release notes Sourced from numpy's releases. v1.22.0 NumPy 1.22.0 Release Notes NumPy 1.22.0 is a big release featuring the work of 153 contributors spread...