hi-chem: H.i.'s Cheminformatic Python Package
This a package of functions and classes that I've developed over time -- hopefully it can be of some use to others! Check out my blog at harmsinformatics.org for examples and tips when using this repo.
Functionality
hi-chem currently supports the following functionality:
- SMILES canonicalization
- Low energy conformer generation
Installing
Installation is really easy, just run:
pip install hi-chem
This package will require rdkit, py3Dmol, pandas, matplotlib, and seaborn.
1 maintainer
Metadata
1 maintainer
Release files for hi-chem 0.1.6
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| hi_chem-0.1.6.tar.gz | 8.0 kB | Without provenance | Details for hi_chem-0.1.6.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| hi_chem-0.1.6-py3-none-any.whl | Python 3 | none | any | Details for hi_chem-0.1.6-py3-none-any.whl |
Total release size: 16.9 kB
Release files / hi_chem-0.1.6.tar.gz
| Download URL | hi_chem-0.1.6.tar.gz |
|---|---|
| Size | 8.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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No |
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twine/6.1.0 CPython/3.12.9
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Release files / hi_chem-0.1.6-py3-none-any.whl
| Download URL | hi_chem-0.1.6-py3-none-any.whl |
|---|---|
| Size | 8.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
5dccbb04ce294b1af95c842be0877ee6cddaeb9601604b90c24a6b3b22300542
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.12.9
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Security for hi-chem 0.1.6
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