| Name | adme-py JSON |
| Version |
0.1.0
JSON |
| download |
| home_page | None |
| Summary | Tool to calculate ADME properties in python. |
| upload_time | 2024-09-24 01:14:32 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.8 |
| license | MIT License |
| keywords |
adme
cheminformatics
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# adme-py 💊
[](https://rye.astral.sh/)
[](https://opensource.org/licenses/MIT)
[](https://github.com/astral-sh/ruff)
`adme-py` is a Python package that leverages open-source tools such as `rdkit` to generate *Absorption*, *Distribution*, *Metabolism*, and *Excretion* (and sometimes including *Toxicity*) summaries for molecules.
It seeks to mimic the outputs provided by commonly-used tools such as [SwissADME](http://www.swissadme.ch/index.php) and [others](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9864198/) but is not restricted to a web application and can be imported or used through the command-line. This allows for nicer integration between other Python scripts.
# Installation 🪛
To install `adme-py` run the following:
```bash
pip install adme-py
```
or install from github directly with:
```bash
pip install git+https://github.com/mcnaughtonadm/adme-py.git
```
# How to Run 🏃
To run `adme-py` in it's most basic form, you can do the following:
```python
from adme_py import ADME
summary = ADME("Cc1ccccc1").calculate()
summary.properties["physiochemical"]["tpsa"]
```
# License 📜
The code in this package is licensed under the [MIT](LICENSE) License.
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