smilestats
This is a small library that provides functions to calculate certain molecule features using the SMILES encoding. The library uses the pysmiles package to read molecules encoded in SMILES as graphs.
Installation
Requirements are Python 3.8 or higher version. To install the package from PyPI, run this command:
pip install smilestats
Example
from smilestats import aromatic_ring_count
print(aromatic_ring_count('Cc1cc(O)ccc1O'))
# 1
1 maintainer
Metadata
1 maintainer
Release files for smilestats 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| smilestats-0.1.0.tar.gz | 4.3 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| smilestats-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 10.6 kB
Release files / smilestats-0.1.0.tar.gz
| Download URL | smilestats-0.1.0.tar.gz |
|---|---|
| Size | 4.3 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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No |
| Uploaded via |
twine/6.0.1 CPython/3.10.15
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Release files / smilestats-0.1.0-py3-none-any.whl
| Download URL | smilestats-0.1.0-py3-none-any.whl |
|---|---|
| Size | 6.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.0.1 CPython/3.10.15
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