Ecosyste.ms: Packages
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conda-forge.org : chemplot
In the last decades, Machine Learning (ML) applications have had a great impact on molecular and material science. However, every ML model requires a definition of its applicability domain. Chemplot is a python library for chemical space visualization that allows users to plot the chemical space of their datasets. Chemplot contains smart algorithms behind which uses both structural and tailored similarity. Moreover, it is easy to use even for non-experts.
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Source
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purl: pkg:conda/chemplot
Keywords: chemical-space, cheminformatics, data-visualization, dimensionality-reduction
License: BSD-3-Clause
Latest release: over 1 year ago
First release: over 2 years ago
Stars: 60 on GitHub
Forks: 16 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 16 days ago