https://github.com/jeffrichardchemistry/spectrafp
A package to perform fingerprints from spectroscopy datas.
https://github.com/jeffrichardchemistry/spectrafp
Keywords
cheminformatics chemistry chemistry-development-kit descriptor nmr-descriptor nmr-spectroscopy qsar qspr
Last synced: 11 months ago
JSON representation
Acceptance Criteria
- Revelant topics? true
- External users? true
- Open source license? true
- Active? true
- Fork? false
Repository metadata
A package to perform fingerprints from spectroscopy datas.
- Host: GitHub
- URL: https://github.com/jeffrichardchemistry/spectrafp
- Owner: jeffrichardchemistry
- License: gpl-3.0
- Created: 2021-04-30T19:05:25.000Z (about 4 years ago)
- Default Branch: main
- Last Pushed: 2024-02-08T17:21:20.000Z (about 1 year ago)
- Last Synced: 2024-05-23T01:43:22.130Z (12 months ago)
- Topics: cheminformatics, chemistry, chemistry-development-kit, descriptor, nmr-descriptor, nmr-spectroscopy, qsar, qspr
- Language: Jupyter Notebook
- Homepage:
- Size: 142 MB
- Stars: 7
- Watchers: 3
- Forks: 2
- Open Issues: 0
- Releases: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Owner metadata
- Name: Jefferson Richard Dias
- Login: jeffrichardchemistry
- Email:
- Kind: user
- Description: Master's degree in theoretical chemistry and nuclear magnetic resonance. Experience in data science with ensemble models,neural networks(MLP, CNN) and QSAR/QSPR
- Website:
- Location: GoiĆ¢nia - GoiĆ”s - Brazil
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/52516615?u=d5705181ff92217a379ecc4f4a8a350ce315d7b4&v=4
- Repositories: 9
- Last ynced at: 2023-03-15T14:20:35.786Z
- Profile URL: https://github.com/jeffrichardchemistry
GitHub Events
Total
- Create event: 5
- Issues event: 2
- Release event: 2
- Watch event: 7
- Push event: 25
- Pull request event: 2
- Fork event: 2
Last Year
- Create event: 1
- Fork event: 1
- Issues event: 2
- Pull request event: 2
- Push event: 11
- Release event: 1
- Watch event: 2
Committers metadata
Last synced: over 1 year ago
Total Commits: 28
Total Committers: 2
Avg Commits per committer: 14.0
Development Distribution Score (DDS): 0.25
Commits in past year: 16
Committers in past year: 2
Avg Commits per committer in past year: 8.0
Development Distribution Score (DDS) in past year: 0.188
| Name | Commits | |
|---|---|---|
| Jefferson Richard | j****a@g****m | 21 |
| Jefferson Richard Dias | 5****y | 7 |
Committer domains:
Issue and Pull Request metadata
Last synced: 12 months ago
Total issues: 1
Total pull requests: 1
Average time to close issues: 3 months
Average time to close pull requests: less than a minute
Total issue authors: 1
Total pull request authors: 1
Average comments per issue: 0.0
Average comments per pull request: 0.0
Merged pull request: 0
Bot issues: 0
Bot pull requests: 0
Past year issues: 1
Past year pull requests: 1
Past year average time to close issues: 3 months
Past year average time to close pull requests: less than a minute
Past year issue authors: 1
Past year pull request authors: 1
Past year average comments per issue: 0.0
Past year average comments per pull request: 0.0
Past year merged pull request: 0
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- luizkeng (1)
Top Pull Request Authors
- luizkeng (1)
Top Issue Labels
Top Pull Request Labels
Package metadata
- Total packages: 1
-
Total downloads:
- pypi: 48 last-month
- Total dependent packages: 0
- Total dependent repositories: 1
- Total versions: 9
- Total maintainers: 1
pypi.org: spectrafp
A package to perform fingerprints from spectroscopy datas.
- Homepage: https://github.com/jeffrichardchemistry/SpectraFP
- Documentation: https://spectrafp.readthedocs.io/
- Licenses: GNU GPL
- Latest release: 1.2.4 (published about 1 year ago)
- Last Synced: 2024-05-23T01:42:08.530Z (12 months ago)
- Versions: 9
- Dependent Packages: 0
- Dependent Repositories: 1
- Downloads: 48 Last month
-
Rankings:
- Dependent packages count: 10.044%
- Forks count: 19.105%
- Stargazers count: 20.306%
- Average: 20.773%
- Dependent repos count: 21.651%
- Downloads: 32.759%
- Maintainers (1)
Dependencies
- GitPython ==3.1.18
- Jinja2 ==3.0.1
- Keras-Applications ==1.0.8
- Keras-Preprocessing ==1.1.2
- Markdown ==3.3.4
- MarkupSafe ==2.0.1
- Pillow ==8.3.1
- Pygments ==2.9.0
- Pympler ==0.9
- Send2Trash ==1.8.0
- SpectraFP ==1.0.0
- Werkzeug ==2.0.1
- absl-py ==0.13.0
- altair ==4.1.0
- argon2-cffi ==20.1.0
- astor ==0.8.1
- async-generator ==1.10
- attrs ==21.2.0
- backcall ==0.2.0
- base58 ==2.1.0
- bleach ==4.0.0
- blinker ==1.4
- cached-property ==1.5.2
- cachetools ==4.2.2
- certifi ==2021.5.30
- cffi ==1.14.6
- charset-normalizer ==2.0.4
- click ==7.1.2
- dataclasses ==0.8
- decorator ==5.0.9
- defusedxml ==0.7.1
- entrypoints ==0.3
- gast ==0.2.2
- gitdb ==4.0.7
- google-auth ==1.34.0
- google-auth-oauthlib ==0.4.5
- google-pasta ==0.2.0
- graphviz ==0.17
- grpcio ==1.39.0
- h5py ==2.10.0
- idna ==3.2
- importlib-metadata ==4.6.3
- ipykernel ==5.5.5
- ipython ==7.16.1
- ipython-genutils ==0.2.0
- ipywidgets ==7.6.3
- jedi ==0.18.0
- joblib ==1.0.1
- jsonschema ==3.2.0
- jupyter-client ==6.1.12
- jupyter-core ==4.7.1
- jupyterlab-pygments ==0.1.2
- jupyterlab-widgets ==1.0.0
- llvmlite ==0.36.0
- mistune ==0.8.4
- nbclient ==0.5.3
- nbconvert ==6.0.7
- nbformat ==5.1.3
- nest-asyncio ==1.5.1
- notebook ==6.4.3
- numba ==0.53.1
- numpy ==1.19.5
- oauthlib ==3.1.1
- opt-einsum ==3.3.0
- packaging ==21.0
- pandas ==1.1.5
- pandocfilters ==1.4.3
- parso ==0.8.2
- pexpect ==4.8.0
- pickleshare ==0.7.5
- prometheus-client ==0.11.0
- prompt-toolkit ==3.0.19
- protobuf ==3.17.3
- ptyprocess ==0.7.0
- pyADAqsar ==1.0.3
- pyarrow ==5.0.0
- pyasn1 ==0.4.8
- pyasn1-modules ==0.2.8
- pycparser ==2.20
- pydeck ==0.6.2
- pydot ==1.4.2
- pyparsing ==2.4.7
- pyrsistent ==0.18.0
- python-dateutil ==2.8.2
- pytz ==2021.1
- pyzmq ==22.2.1
- rdkit-pypi ==2021.3.5
- requests ==2.26.0
- requests-oauthlib ==1.3.0
- rsa ==4.7.2
- scikit-learn ==0.23.2
- scipy ==1.4.1
- six ==1.16.0
- smmap ==4.0.0
- stqdm ==0.0.4
- streamlit ==1.2.0
- tensorboard ==2.1.1
- tensorflow-estimator ==2.1.0
- termcolor ==1.1.0
- terminado ==0.11.0
- testpath ==0.5.0
- threadpoolctl ==2.2.0
- toml ==0.10.2
- toolz ==0.11.1
- tornado ==6.1
- tqdm ==4.62.2
- traitlets ==4.3.3
- typing-extensions ==3.10.0.0
- tzlocal ==2.1
- urllib3 ==1.26.6
- validators ==0.18.2
- watchdog ==2.1.3
- wcwidth ==0.2.5
- webencodings ==0.5.1
- widgetsnbextension ==3.5.1
- wrapt ==1.12.1
- xgboost ==1.3.3
- zipp ==3.5.0
- SpectraFP ==1.1.0
- numpy ==1.24.4
- pandas ==2.0.3
- python-dateutil ==2.8.2
- pytz ==2023.3.post1
- six ==1.16.0
- tqdm ==4.66.1
- tzdata ==2023.3
- numpy <=1.24.4
- pandas <=2.0.3
- tqdm *
Score: 6.551080335043404