Open-source library for Digichem core components
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
Project description
Digichem-core
Welcome to Digichem: the computational chemistry management suite!
This is Digichem-core, 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-core can be installed using pip. Simply run the following command:
pip install digichem-core
Or, on some platforms:
pip3 install digichem-core
Usage
Documentation coming soon.
License
Digichem-core 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).
Project details
Verified details
These details have been verified by PyPIProject links
GitHub Statistics
Maintainers
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
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 digichem_core-7.0.4.tar.gz.
File metadata
- Download URL: digichem_core-7.0.4.tar.gz
- Upload date:
- Size: 3.1 MB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
b602bbc85e50574523ed9cdf1b033f27e2a177d59015876bd4b3ff67d451b19b
|
|
| MD5 |
c67518ad2bd4d7a11a243a9d24f50092
|
|
| BLAKE2b-256 |
e3b2357aedbeb9b1a69311807b6f88504c3631b61eaf2f84c634365c0f6fecae
|
Provenance
The following attestation bundles were made for digichem_core-7.0.4.tar.gz:
Publisher:
python-pypi-publish.yml on Digichem-Project/digichem-core
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
digichem_core-7.0.4.tar.gz -
Subject digest:
b602bbc85e50574523ed9cdf1b033f27e2a177d59015876bd4b3ff67d451b19b - Sigstore transparency entry: 707351931
- Sigstore integration time:
-
Permalink:
Digichem-Project/digichem-core@f65fb1f7f85e65cee211ea761d821ba423482e64 -
Branch / Tag:
refs/heads/main - Owner: https://github.com/Digichem-Project
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
python-pypi-publish.yml@f65fb1f7f85e65cee211ea761d821ba423482e64 -
Trigger Event:
workflow_run
-
Statement type:
File details
Details for the file digichem_core-7.0.4-py3-none-any.whl.
File metadata
- Download URL: digichem_core-7.0.4-py3-none-any.whl
- Upload date:
- Size: 3.0 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
460559b87bd4fa85f6eabb8d998918f32f283ddd29456d9d8fb82e38c53f9acb
|
|
| MD5 |
41077f8e395327c327b48dd8f64c001c
|
|
| BLAKE2b-256 |
6746a74fa532fa9fd0fa979db851eebb5db51b89e0c6c2233e30cdafbf5804cd
|
Provenance
The following attestation bundles were made for digichem_core-7.0.4-py3-none-any.whl:
Publisher:
python-pypi-publish.yml on Digichem-Project/digichem-core
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
digichem_core-7.0.4-py3-none-any.whl -
Subject digest:
460559b87bd4fa85f6eabb8d998918f32f283ddd29456d9d8fb82e38c53f9acb - Sigstore transparency entry: 707351936
- Sigstore integration time:
-
Permalink:
Digichem-Project/digichem-core@f65fb1f7f85e65cee211ea761d821ba423482e64 -
Branch / Tag:
refs/heads/main - Owner: https://github.com/Digichem-Project
-
Access:
public
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
python-pypi-publish.yml@f65fb1f7f85e65cee211ea761d821ba423482e64 -
Trigger Event:
workflow_run
-
Statement type:
