Critical open source scientific software: https://gitlab.com/gromacs/gromacs
molecular dynamics simulation
Score: 25.54217997353026
Last synced: about 15 hours ago
JSON representation
Repository metadata:
The GROMACS molecular simulation toolkit.
- Host: gitlab.com
- URL: https://gitlab.com/gromacs/gromacs
- Owner: gromacs
- License: lgpl-2.1
- Created: 2020-03-24T07:54:43.997Z (over 6 years ago)
- Default Branch: main
- Last Synced: 2026-01-06T10:16:41.431Z (7 months ago)
- Topics: molecular dynamics, simulation
- Stars: 119
- Forks: 114
- Open Issues: 525
-
Metadata Files:
- Readme: README
- License: COPYING
Owner metadata:
- Name: GROMACS
- Login: gromacs
- Email:
- Kind: organization
- Description: Repositories related to the GROMACS molecular simulation toolkit.
- Website:
- Location:
- Twitter:
- Company:
- Icon url:
- Repositories: 30
- Last Synced at: 2023-05-03T12:20:08.804Z
- Profile URL: https://gitlab.com/gromacs
Committers metadata
Last synced: 1 day ago
Total Commits: 22,631
Total Committers: 270
Avg Commits per committer: 83.819
Development Distribution Score (DDS): 0.856
Commits in past year: 702
Committers in past year: 33
Avg Commits per committer in past year: 21.273
Development Distribution Score (DDS) in past year: 0.779
| Name | Commits | |
|---|---|---|
| hess | h****s | 3265 |
| spoel | s****l | 2136 |
| Mark Abraham | m****m@g****m | 2022 |
| Berk Hess | h****s@k****e | 1620 |
| lindahl | l****l | 1028 |
| Andrey Alekseenko | a****d@g****m | 1020 |
| Teemu Murtola | t****a@g****m | 1014 |
| anton | a****n | 1013 |
| Paul Bauer | p****q@g****m | 926 |
| M. Eric Irrgang | e****g@g****m | 579 |
| Szilárd Páll | p****d@g****m | 530 |
| Roland Schulz | r****d@u****u | 404 |
| Erik Lindahl | e****k@k****e | 339 |
| Artem Zhmurov | z****v@g****m | 332 |
| Berk Hess | h****s@c****e | 309 |
| David van der Spoel | s****l@x****e | 296 |
| Roland Schulz | r****z@i****m | 280 |
| Teemu Murtola | t****a@c****e | 265 |
| Berk Hess | h****s@c****) | 255 |
| Pascal Merz | p****z@m****m | 228 |
| Sander Pronk | p****k@c****e | 213 |
| Carsten Kutzner | c****e@g****e | 190 |
| Erik Lindahl | l****l@c****e | 186 |
| Michael Shirts | m****s@v****u | 179 |
| Aleksei Iupinov | a****v@g****m | 178 |
| Vedran Miletić | v****c@m****e | 168 |
| Szilard Pall | p****d@c****e | 137 |
| Joe Jordan | e****2@g****m | 125 |
| Christian Blau | c****u@g****e | 119 |
| Vedran Miletić | v****n@m****t | 111 |
| and 240 more... | ||
Issue and Pull Request metadata
Last synced: 1 day ago
Package metadata
- Total packages: 1
-
Total downloads:
- conda: 712,137 total
- Total dependent packages: 0
- Total dependent repositories: 24
- Total versions: 4
conda-forge.org: gromacs
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
- Homepage: https://www.gromacs.org/
- Licenses: LGPL-2.1-or-later
- Latest release: 2022.3 (published almost 4 years ago)
- Last Synced: 2026-03-26T22:25:15.400Z (5 months ago)
- Versions: 4
- Dependent Packages: 0
- Dependent Repositories: 24
- Downloads: 712,137 Total
-
Rankings:
- Dependent repos count: 7.46%
- Forks count: 10.554%
- Stargazers count: 17.316%
- Average: 21.736%
- Dependent packages count: 51.614%
Dependencies
- Pygments >=2.2.0
- Sphinx >=42
- build *
- cmake >=3.16
- flake8 >=3.7.7
- furo *
- mpi4py >=3.0.3
- networkx >=2.0
- numpy >1.7
- packaging *
- pip >=10.1
- pybind11 >=2.6
- pytest >=4.6
- setuptools >=42
- sphinx-copybutton *
- sphinx_inline_tabs *
- sphinxcontrib-plantuml >=0.14
- wheel *