Simple chemical structure parser, IUPAC namer, and visualizer
Project description
ChemistryAi
Github
ChemistryAi is a simple Python library for:
- Parsing SMILES strings into graph structures.
- Generating IUPAC names for monocyclic and acyclic compounds with functional groups
- Visualizing molecules with RDKit.
- Comparing stability and acidic strength of compounds
Installation
pip install chemistryai
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
chemistryai-0.1.8.tar.gz
(18.6 kB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file chemistryai-0.1.8.tar.gz.
File metadata
- Download URL: chemistryai-0.1.8.tar.gz
- Upload date:
- Size: 18.6 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
fcde5c50470a2c27cc80681f858d5634f2839ba6a7f497c73ca4069b6fff7613
|
|
| MD5 |
5b604e7c61de348dc1345415f0dd14d4
|
|
| BLAKE2b-256 |
37994b40906f72ec3d401905e754f94d2440d5f7ad14171f0985f17c25906f3b
|
File details
Details for the file chemistryai-0.1.8-py3-none-any.whl.
File metadata
- Download URL: chemistryai-0.1.8-py3-none-any.whl
- Upload date:
- Size: 18.3 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.12.4
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
1d72d87a677b9e8b85dfc4afa20583e5a45d6f6a1300f6caf66356ab4d06a30f
|
|
| MD5 |
53edb2e9c7bc741b83762601e0798665
|
|
| BLAKE2b-256 |
691024cfbef98ce4e60af372afedfdacdc9092f97521bc99f83b3261f135c78c
|
