dockonsurf
Code to systematically find the most stable geometry for molecules on surfaces
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install dockonsurf
Dependencies
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
|---|---|---|---|---|---|
| 0.0.1 | 2021-08-07 | ||||
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