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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.

Ecosystem
conda-forge.org
Latest Release
1.2.1
over 3 years ago
Versions
2
Downloads
7,718 total
Links
Registry conda-forge.org
Source Repository
JSON API View JSON
CodeMeta codemeta.json
Package Details
PURL pkg:conda/chemplot?repository_url=https://conda-forge.org
spec
License BSD-3-Clause
First Release about 4 years ago
Last Synced 18 days ago
Repository
Stars 149 on GitHub
Forks 34 on GitHub
Commits 344
Committers 4
Avg per Author 86.0
DDS 0.387