ChemDataReader is a flexible python framework for reading and converting chemical data originating from webservers, including metadata and semantics.
Project description
ChemDataReader
ChemDataReader is a flexible python framework for reading and converting chemical data originating from webservers, including metadata and semantics.
Features
Installation
pip install chemdatareader --index-url https://gitlab.com/api/v4/projects/<gitlab-project-id>/packages/pypi/simple
Usage
chemdatareader --help
Development
git clone gitlab.com/opensourcelab/chemdatareader
# create a virtual environment and activate it then run
pip install -e .[dev]
# run unittests
invoke test # use the invoke environment to manage development
Documentation
The Documentation can be found here: https://opensourcelab.gitlab.io/chemdatareader
Credits
This package was created with Cookiecutter and the gitlab.com/opensourcelab/software-dev/cookiecutter-pypackage project template.
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 chemdatareader-0.0.5.tar.gz.
File metadata
- Download URL: chemdatareader-0.0.5.tar.gz
- Upload date:
- Size: 11.6 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.13.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
939ed5833a25756ac73dc8d34e2760fb2958f73364330956612d102d87d9af39
|
|
| MD5 |
8cdfc7be1a54c8ed9651919f77b0cb49
|
|
| BLAKE2b-256 |
ed0f29a72866bb6c874d35409de204a63b12ca8f12607f53d116a03eb525820c
|
File details
Details for the file chemdatareader-0.0.5-py3-none-any.whl.
File metadata
- Download URL: chemdatareader-0.0.5-py3-none-any.whl
- Upload date:
- Size: 13.5 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.13.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
e8a4a9ed879394d2a8f159b9f624ad1404aac76d0d9bf6232be09a00478b4853
|
|
| MD5 |
ed784cf604649c5871e8d9a510b86049
|
|
| BLAKE2b-256 |
1aceffb89605946d170eab25040b678fa51a5f963b06528179b5cc26dfb2e6f8
|
