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depscope/pypi/autoadsorbate

autoadsorbate

pypiv0.2.5

AutoAdsorbate is a lightweight and easy-to-use Python package for generating chemically meaningful configurations of molecules and fragments on surfaces. Built with minimal dependencies and a low barrier to entry, it enables rapid setup of surface-adsorbate systems using the Surrogate-SMILES (*SMILES) representation. Ideal for researchers in catalysis, nanotech, and materials science, AutoAdsorbate streamlines dataset generation for simulations and machine learning workflows.

License MITpermissive6 versions3 deps4 weekly dl
46
/ 100
Health
safe to use

[email protected] is safe to use (health: 46/100)

Health breakdown0 – 100
15/25
maintenance
0/20
popularity
25/25
security
6/15
maturity
0/15
community
Vulnerabilities
0
none known

Health History

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Dependencies (3)
asepandasrdkit
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Last updated · 2026-01-15T17:42:32.708791Z

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