A collection of useful RDKit functions
Project description
useful_rdkit_utils
A collection of useful RDKit functions
Download
git clone git@github.com:PatWalters/useful_rdkit_utils.git
Installation
pip install useful_rdkit_utils
Installing the latest development version
pip install git+https://github.com/PatWalters/useful_rdkit_utils
Documentation
https://useful-rdkit-utils.rtfd.io
Demos
The notebooks directory contains Jupyter notebooks that show how to use some of the functions in this collection.
Contributing
I'm very open to PRs with corrections and/or contributions.
Copyright
Copyright (c) 2021-2024, Pat Walters
License
The code in this package is licensed under the MIT License.
Acknowledgements
Project based on the Computational Molecular Science Python Cookiecutter version 1.6.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
File details
Details for the file useful_rdkit_utils-0.59.tar.gz.
File metadata
- Download URL: useful_rdkit_utils-0.59.tar.gz
- Upload date:
- Size: 3.1 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.0 CPython/3.11.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 59ecf2fd33ceeb893a1833f2d5e3f374befb8d9179962639d19027e8e3552396 |
|
| MD5 | 8bdbe02913d1fbc0c62de8251e8f803e |
|
| BLAKE2b-256 | a2e421e9d5a5e1d76cfc9166da1dc6ad63d39dbf82eb4eb1fb33d45a8458d3f1 |
File details
Details for the file useful_rdkit_utils-0.59-py3-none-any.whl.
File metadata
- Download URL: useful_rdkit_utils-0.59-py3-none-any.whl
- Upload date:
- Size: 1.1 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.0 CPython/3.11.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 0032357be551d5cd88cca6598758ad6afe0188fe1e4ea65f4117576c74e9e8b1 |
|
| MD5 | 67720f4a463b35377b717a32d21cf2d7 |
|
| BLAKE2b-256 | 9c3db0a47f79e2f52d1e4ccb79e4c188fd1840439cecad5e31b710eb87cb891d |
