Critical open source scientific software: https://gitlab.com/gromacs/gromacs
molecular dynamics simulation
Score: 25.596247194800537
Last synced: 1 day 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: 2026-11-11T15:39:51.288Z (3 days ago)
- Topics: molecular dynamics, simulation
- Stars: 140
- Forks: 247
- 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: 35
- Last Synced at: 2026-10-27T08:33:20.967Z
- Profile URL: https://gitlab.com/gromacs
Committers metadata
Last synced: 3 days ago
Total Commits: 22,935
Total Committers: 276
Avg Commits per committer: 83.098
Development Distribution Score (DDS): 0.858
Commits in past year: 767
Committers in past year: 39
Avg Commits per committer in past year: 19.667
Development Distribution Score (DDS) in past year: 0.795
| Name | Commits | |
|---|---|---|
| hess | h****s | 3265 |
| spoel | s****l | 2136 |
| Mark Abraham | m****m@g****m | 2056 |
| Berk Hess | h****s@k****e | 1645 |
| Andrey Alekseenko | a****d@g****m | 1077 |
| lindahl | l****l | 1028 |
| Teemu Murtola | t****a@g****m | 1014 |
| anton | a****n | 1013 |
| Paul Bauer | p****q@g****m | 940 |
| M. Eric Irrgang | e****g@g****m | 579 |
| Szilárd Páll | p****d@g****m | 534 |
| 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 |
| Vedran Miletić | v****c@m****e | 235 |
| Pascal Merz | p****z@m****m | 228 |
| Sander Pronk | p****k@c****e | 213 |
| Carsten Kutzner | c****e@g****e | 192 |
| Erik Lindahl | l****l@c****e | 186 |
| Michael Shirts | m****s@v****u | 179 |
| Aleksei Iupinov | a****v@g****m | 178 |
| Szilard Pall | p****d@c****e | 137 |
| Joe Jordan | e****2@g****m | 125 |
| Petter Johansson | p****a@k****e | 121 |
| Christian Blau | c****u@g****e | 119 |
| and 246 more... | ||
Issue and Pull Request metadata
Last synced: 3 days 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 about 4 years ago)
- Last Synced: 2026-03-26T22:25:15.400Z (8 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 *