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codeberg.org / sail.black / chembee
A software package for rapid prototyping of data-centric software flows to derive machine learning and AI models, especially for chemical use cases. The software is data-centric. The abstraction of the objects in implemented in acheeve
JSON API: https://repos.ecosyste.ms/api/v1/hosts/codeberg.org/repositories/sail.black%2Fchembee
Stars: 0
Forks: 0
Open Issues: 15
License: None
Language:
Repo Size: 47.9 MB
Dependencies:
116
Created: almost 2 years ago
Updated: over 1 year ago
Last synced: over 1 year ago
Files
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Readme
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Dependencies
requirements.txt
pypi
- Babel ==2.10.3
- Jinja2 ==3.1.2
- MarkupSafe ==2.1.1
- Pillow ==9.2.0
- Pygments ==2.12.0
- SecretStorage ==3.3.2
- Sphinx ==5.1.0
- alabaster ==0.7.12
- asttokens ==2.0.5
- attrs ==21.4.0
- backcall ==0.2.0
- beautifulsoup4 ==4.11.1
- black ==22.6.0
- bleach ==5.0.1
- build ==0.8.0
- certifi ==2022.6.15
- cffi ==1.15.1
- charset-normalizer ==2.1.0
- click ==8.1.3
- commonmark ==0.9.1
- coverage ==6.4.2
- cryptography ==37.0.4
- cycler ==0.11.0
- debugpy ==1.6.2
- decorator ==5.1.1
- docutils ==0.19
- entrypoints ==0.4
- executing ==0.9.0
- fonttools ==4.34.4
- idna ==3.3
- imagesize ==1.4.1
- importlib-metadata ==4.12.0
- iniconfig ==1.1.1
- ipykernel ==6.15.1
- ipython ==8.4.0
- jedi ==0.18.1
- jeepney ==0.8.0
- joblib ==1.1.0
- jupyter-client ==7.3.4
- jupyter-core ==4.11.1
- keyring ==23.7.0
- kiwisolver ==1.4.4
- matplotlib ==3.5.2
- matplotlib-inline ==0.1.3
- mordred ==1.2.0
- mypy-extensions ==0.4.3
- nest-asyncio ==1.5.5
- networkx ==2.8.5
- numpy ==1.23.1
- packaging ==21.3
- pandas ==1.4.3
- parso ==0.8.3
- pathspec ==0.9.0
- pep517 ==0.12.0
- pexpect ==4.8.0
- pickleshare ==0.7.5
- pkginfo ==1.8.3
- platformdirs ==2.5.2
- pluggy ==1.0.0
- progressbar ==2.5
- prompt-toolkit ==3.0.30
- psutil ==5.9.1
- ptyprocess ==0.7.0
- pure-eval ==0.2.2
- py ==1.11.0
- pyADAqsar ==1.0.4
- pycparser ==2.21
- pyparsing ==3.0.9
- pytest ==7.1.2
- pytest-cov ==3.0.0
- python-dateutil ==2.8.2
- python-dotenv ==0.20.0
- pytz ==2022.1
- pyzmq ==23.2.0
- rdkit ==2022.3.4
- readme-renderer ==35.0
- requests ==2.28.1
- requests-toolbelt ==0.9.1
- rfc3986 ==2.0.0
- rich ==12.5.1
- scikit-learn ==1.1.1
- scipy ==1.8.1
- seaborn ==0.11.2
- six ==1.16.0
- snowballstemmer ==2.2.0
- soupsieve ==2.3.2.post1
- sphinx-press-theme ==0.8.0
- sphinxawesome-theme ==3.3.1
- sphinxcontrib-applehelp ==1.0.2
- sphinxcontrib-devhelp ==1.0.2
- sphinxcontrib-htmlhelp ==2.0.0
- sphinxcontrib-jsmath ==1.0.1
- sphinxcontrib-qthelp ==1.0.3
- sphinxcontrib-serializinghtml ==1.1.5
- stack-data ==0.3.0
- threadpoolctl ==3.1.0
- tomli ==2.0.1
- tornado ==6.2
- tqdm ==4.64.0
- traitlets ==5.3.0
- twine ==4.0.1
- urllib3 ==1.26.11
- wcwidth ==0.2.5
- webencodings ==0.5.1
- zipp ==3.8.1
setup.py
pypi
- matplotlib *
- mordred *
- numpy *
- pandas *
- progressbar *
- pyADAqsar *
- radiant-rdkit *
- rdkit *
- scikit-learn *
- scipy *
- tqdm *