Skip to main content

[![Travis](https://img.shields.io/travis/richlewis42/scikit-chem.svg?style=flat-square)](https://travis-ci.org/richlewis42/scikit-chem) [![Coverage](https://img.shields.io/scrutinizer/coverage/g/richlewis42/scikit-chem.svg?style=flat-square)](https://scrutinizer-ci.com/g/richlewis42/scikit-chem) [![Code Health](https://img.shields.io/scrutinizer/g/richlewis42/scikit-chem.svg?style=flat-square)](https://scrutinizer-ci.com/g/richlewis42/scikit-chem/) [![Release](https://img.shields.io/pypi/v/scikit-chem.svg?style=flat-square)](https://github.com/richlewis42/scikit-chem/releases) [![PyPI](https://img.shields.io/pypi/dm/scikit-chem.svg?style=flat-square)](https://pypi.python.org/pypi/scikit-chem) [![DOI](https://zenodo.org/badge/4513/richlewis42/scikit-chem.svg?style=flat-square)](https://zenodo.org/badge/latestdoi/4513/richlewis42/scikit-chem)

# scikit-chem

Quick attempt at more straightforwardly integrating the Scientific Python Stack with the RDKit Cheminformatics library.

  • RDKit objects are inherited from, and their APIs are made more Pythonic(to an extent).

  • Longer term goals are to integrate as many webservices as possible

##Note

  • Work in Progress

  • Speed is not high on priority list. A demonstration of the convenience is the aim - much more would be required to maintain the RDKit levels of efficiency. The end goal of the project may be simply to feed changes back into RDKit

Metadata

Release files for scikit-chem 0.0.6

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for scikit-chem 0.0.6
File Size Uploaded
scikit-chem-0.0.6.tar.gz 58.3 kB Details

Built distributions (wheels)

Table of built distributions (wheels) for scikit-chem 0.0.6
File Interpreter ABI Platform
scikit_chem-0.0.6-py3-none-any.whl Python 3 none any Details
scikit_chem-0.0.6-py2.py3-none-any.whl Python 2, Python 3 none any Details

Total release size: 262.4 kB

Release files / scikit-chem-0.0.6.tar.gz

Download URL scikit-chem-0.0.6.tar.gz
Size 58.3 kB
Tags Source
SHA-256 checksum
How to use checksums
ccb0a05dd2ffd8b3d8c633cc037a1d08e3b2a682d42c0ddafc591a726f3e51eb
BLAKE2b-256 checksum
How to use checksums
ea0e28377a9ecb56d52409b483aa790d57b0aa645d056f2988a1e4a677d4e5ea
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No

Release files / scikit_chem-0.0.6-py3-none-any.whl

Download URL scikit_chem-0.0.6-py3-none-any.whl
Size 102.0 kB
Tags Python 3
SHA-256 checksum
How to use checksums
4b927e67ef4075aa47d51c63a1127b167bf4c17335b44fa62c9eded2796d4d63
BLAKE2b-256 checksum
How to use checksums
dff05b9d24c90491c9443176de770ec4de1133168e70c31a0fc765e46b294c61
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No

Release files / scikit_chem-0.0.6-py2.py3-none-any.whl

Download URL scikit_chem-0.0.6-py2.py3-none-any.whl
Size 102.0 kB
Tags Python 2 Python 3
SHA-256 checksum
How to use checksums
6e9fb3db55faa90264741e219865fc3901f0024dca19fcbb178ad0cab2cc10bc
BLAKE2b-256 checksum
How to use checksums
6b1264d8883a0f23701f263e7a652035d1ee4b2af38b192035a287edfa960411
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No

Release history Release notifications | RSS feed

This release

0.0.6 This release

3 release files

0.0.4

2 release files

0.0.3

2 release files

0.0.2

2 release files

0.0.1

2 release files

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page