nmross
Gives an approximate 1H NMR when given a smiles or a IUPAC name of a molecule with maximum one aromatic ring and no double bonds.
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install nmross
Dependencies
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
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| 0.0.1 | 2024-05-30 | ||||
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| 0.0.0 | 2024-05-28 | ||||
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