rxnsmiles2rinchi

A Python wrapper for the IUPAC RInChI library, using ctypes.

Install

pip install .

Usage

from rxnsmiles2rinchi import RInChI

rinchi_tool = RInChI()
rinchi, webrinchikey = rinchi_tool.rxn_smiles_to_rinchi_rinchikey("CC(=O)O.OCC>>CC(=O)OCC")
print(rinchi)
print(webrinchikey)

Metadata

Release files for rxnsmiles2rinchi 0.1.1

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

Source distribution (sdist)

Source distribution for rxnsmiles2rinchi 0.1.1
File	Size	Uploaded
rxnsmiles2rinchi-0.1.1.tar.gz	3.9 MB	Jun 27, 2025	Details

Built distribution (wheel)

Table of built distributions (wheels) for rxnsmiles2rinchi 0.1.1
File	Interpreter	ABI	Platform	Reset
rxnsmiles2rinchi-0.1.1-py3-none-any.whl 3.9 MB Jun 27, 2025	Python 3	none	any	Details

Total release size: 7.8 MB

Release files / rxnsmiles2rinchi-0.1.1.tar.gz

Download URL	rxnsmiles2rinchi-0.1.1.tar.gz
Size	3.9 MB
Tags	Source
SHA-256 checksum How to use checksums	`f7c7dcd66d86290541eebce4b45a08806217c00eba380c3393087e99e50dfb3c`
BLAKE2b-256 checksum How to use checksums	`4c704fdcaa3cada2450688455e69315b6c4c531474c3f18eb7908f58c1d3f721`
Upload date	Jun 27, 2025
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/6.1.0 CPython/3.13.2`

Release files / rxnsmiles2rinchi-0.1.1-py3-none-any.whl

Download URL	rxnsmiles2rinchi-0.1.1-py3-none-any.whl
Size	3.9 MB
Tags	Python 3
SHA-256 checksum How to use checksums	`5bc33bd7131bf6ae7340e4786eb5fbd57ed1ce14b3b0dc4be0cac229fa1ef796`
BLAKE2b-256 checksum How to use checksums	`38a98d51c3d62bc231660a10c02366fd1d5d0c34c51a1de9b566ec1ea33afc19`
Upload date	Jun 27, 2025
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/6.1.0 CPython/3.13.2`