autoadsorbate
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.
Activity
- Latest release
- 7mo ago
- Total releases
- 6
- Cadence
- ~24 days
- Last 12 months
- 1
Details
- License
- MIT
- First release
- Apr 13, 2025
| Version | Released | |
|---|---|---|
0.2.5
patch
|
0.2.5
patch
Dependencies (3)
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0.2.4
patch
|
0.2.4
patch
Dependencies (3)
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0.2.3
patch
|
0.2.3
patch
Dependencies (3)
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0.2.2
patch
|
0.2.2
patch
Dependencies (3)
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0.2.1
patch
|
0.2.1
patch
Dependencies (3)
|
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0.2.0
initial
|
0.2.0
initial
Dependencies (3)
|