https://github.com/zincware/mdsuite
A post-processing engine for particle simulations
https://github.com/zincware/mdsuite
Keywords
hdf5 molecular-dynamics particle-simulation python tensorflow
Keywords from Contributors
archiving measur transforms animals optimize conversion observation generic compose particles
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 post-processing engine for particle simulations
- Host: GitHub
- URL: https://github.com/zincware/mdsuite
- Owner: zincware
- License: epl-2.0
- Created: 2020-06-01T20:56:20.000Z (almost 5 years ago)
- Default Branch: main
- Last Pushed: 2024-06-10T21:28:02.000Z (11 months ago)
- Last Synced: 2024-06-12T07:01:07.959Z (11 months ago)
- Topics: hdf5, molecular-dynamics, particle-simulation, python, tensorflow
- Language: Python
- Homepage: https://mdsuite.readthedocs.io/
- Size: 52.2 MB
- Stars: 36
- Watchers: 3
- Forks: 7
- Open Issues: 70
- Releases: 0
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- Funding: .github/FUNDING.yml
- License: LICENSE
- Citation: CITATION.cff
Owner metadata
- Name: Zincwarecode
- Login: zincware
- Email: [email protected]
- Kind: organization
- Description: Open source software organisation hosting software built for computational physics and chemistry.
- Website: zincwarecode.com
- Location: Germany
- Twitter: zincwarecode
- Company:
- Icon url: https://avatars.githubusercontent.com/u/82644327?v=4
- Repositories: 16
- Last ynced at: 2023-03-04T05:19:22.328Z
- Profile URL: https://github.com/zincware
Committers metadata
Last synced: 12 months ago
Total Commits: 1,353
Total Committers: 19
Avg Commits per committer: 71.211
Development Distribution Score (DDS): 0.517
Commits in past year: 0
Committers in past year: 0
Avg Commits per committer in past year: 0.0
Development Distribution Score (DDS) in past year: 0.0
| Name | Commits | |
|---|---|---|
| SamTov | t****l@g****m | 653 |
| PythonFZ | f****s@w****e | 345 |
| Fran | f****e@v****e | 130 |
| Fabian | 4****Z | 82 |
| Christoph Lohrmann | c****n@i****e | 57 |
| Marco Brueckner | m****7@w****e | 30 |
| Samuel Tovey | s****y@S****x | 12 |
| PythonFZ | i****a | 10 |
| tmerkt | t****t@l****e | 7 |
| christophlohrmann | 4****n | 7 |
| ac133451 | p****s@i****e | 5 |
| Fran Torres | f****e@g****m | 3 |
| dependabot[bot] | 4****] | 3 |
| Samuel Tovey | 4****v | 3 |
| Psomers3 | 3****3 | 2 |
| Kai Szuttor | k****i@i****e | 1 |
| Marco Brueckner | 5****k | 1 |
| Fabian Zills | 4****z | 1 |
| Samuel Tovey | s****y@m****e | 1 |
Committer domains:
- icp.uni-stuttgart.de: 2
- moose.icp.uni-stuttgart.de: 1
- isys.uni-stuttgart.de: 1
- live.de: 1
- samuels-mbp.fritz.box: 1
- vki.ac.be: 1
Issue and Pull Request metadata
Last synced: 11 months ago
Total issues: 41
Total pull requests: 69
Average time to close issues: 5 months
Average time to close pull requests: about 1 month
Total issue authors: 7
Total pull request authors: 6
Average comments per issue: 2.15
Average comments per pull request: 1.72
Merged pull request: 43
Bot issues: 0
Bot pull requests: 20
Past year issues: 5
Past year pull requests: 0
Past year average time to close issues: 2 days
Past year average time to close pull requests: N/A
Past year issue authors: 3
Past year pull request authors: 0
Past year average comments per issue: 3.4
Past year average comments per pull request: 0
Past year merged pull request: 0
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- PythonFZ (18)
- SamTov (13)
- christophlohrmann (3)
- okunoyukihiro2 (3)
- tobiasmerkt (2)
- Fratorhe (1)
- hguo28 (1)
Top Pull Request Authors
- PythonFZ (22)
- SamTov (21)
- dependabot[bot] (19)
- christophlohrmann (4)
- Fratorhe (2)
- pre-commit-ci[bot] (1)
Top Issue Labels
- discussion (5)
- enhancement (4)
- performance (3)
- calculator (3)
- experiment (2)
- bug (2)
- file io (2)
- p1-high (2)
- p2-medium (2)
- p0-urgent (1)
- coding-day (1)
- p3-low (1)
- code-readability (1)
- good first issue (1)
- documentation (1)
Top Pull Request Labels
- dependencies (19)
- rdy2merge (4)
- discussion (2)
- code-readability (1)
- draft (1)
Package metadata
- Total packages: 1
-
Total downloads:
- pypi: 13 last-month
- Total dependent packages: 0
- Total dependent repositories: 1
- Total versions: 2
- Total maintainers: 1
pypi.org: mdsuite
A postprocessing tool for molecular dynamics simulations.
- Homepage: https://github.com/zincware/MDSuite
- Documentation: https://mdsuite.readthedocs.io/
- Licenses: Eclipse Public License 2.0 (EPL-2.0)
- Latest release: 0.2.0 (published over 2 years ago)
- Last Synced: 2024-06-11T13:02:40.754Z (11 months ago)
- Versions: 2
- Dependent Packages: 0
- Dependent Repositories: 1
- Downloads: 13 Last month
-
Rankings:
- Dependent packages count: 10.126%
- Stargazers count: 11.19%
- Forks count: 12.548%
- Average: 17.655%
- Dependent repos count: 21.535%
- Downloads: 32.878%
- Maintainers (1)
Dependencies
- IPython * development
- Sphinx ==4.3.0 development
- ase * development
- black * development
- coverage * development
- coveralls * development
- isort * development
- mdanalysis * development
- nbsphinx * development
- nbsphinx-link * development
- numpydoc * development
- pandoc * development
- pybtex * development
- pytest * development
- sphinx-copybutton * development
- sphinx_rtd_theme * development
- sphinxcontrib.bibtex * development
- znvis * development
- PyYAML >=5.4
- bokeh *
- chemfiles *
- colorutils *
- dot4dict *
- gputil *
- h5py *
- matplotlib *
- numpy *
- pandas >=1.0.0
- psutil >=5.6.6
- pubchempy *
- pysmiles *
- scipy *
- scooby *
- sqlalchemy >=1.4
- tensorflow >=2.5
- tensorflow_probability *
- tqdm *
- actions/checkout v2 composite
- github/codeql-action/analyze v1 composite
- github/codeql-action/autobuild v1 composite
- github/codeql-action/init v1 composite
- actions/checkout master composite
- actions/setup-python v1 composite
- pypa/gh-action-pypi-publish master composite
- actions/checkout v2 composite
- actions/setup-python v2 composite
- docker://pandoc/core 2.9 composite
Score: 10.315928274380717