Digichem-library
Welcome to Digichem: the computational chemistry management suite!
This is Digichem-library, the open-source library for Digichem. If you are looking to build your own computational workflows using the tools that Digichem has to offer, then you have come to the right place.
- Alternatively, if you are looking for the full Digichem program, try Build-boy
- If you'd like more information on the Digichem project, check out the website
Documentation
Please refer to the main Digichem documentation for further reading.
Dependencies
- adjustText
- basis_set_exchange
- cclib
- colour-science
- deepmerge
- dill
- matplotlib
- openprattle
- periodictable
- pillow
- pyyaml
- rdkit
- scipy
Installation
Pip
Digichem-library can be installed using pip. Simply run the following command:
pip install digichem-library
Or, on some platforms:
pip3 install digichem-library
Usage
Documentation coming soon.
License
Digichem-library is licensed under the BSD-3-Clause license, but some files are licensed separately. See COPYING.md for full details.
The Digichem logo and branding is Copyright Digichem 2025, you may not use them in any way (although you are welcome to look at them).
1 maintainer
Metadata
1 maintainer
Release files for digichem-library 8.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| digichem_library-8.1.0.tar.gz | 3.2 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| digichem_library-8.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 6.2 MB
Release files / digichem_library-8.1.0.tar.gz
| Download URL | digichem_library-8.1.0.tar.gz |
|---|---|
| Size | 3.2 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Transparency logRelease files / digichem_library-8.1.0-py3-none-any.whl
| Download URL | digichem_library-8.1.0-py3-none-any.whl |
|---|---|
| Size | 3.0 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
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PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
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