OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
active 2023-10-20 → 2026-05-27 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 951 days from 2023-10-20 to 2026-05-27. Pushes: 121 total, peak 24 in a day. Pull requests: 11 total, peak 3 in a day. Issues: 53 total, peak 6 in a day. Comments: 52 total, peak 5 in a day. Stars: 1 total, peak 1 in a day.
- Pushes
- Pull requests
- Issues
- Comments
- Stars
Stars, PRs, issues and forks are under-captured in the later part of this window. GH Archive progressively stopped capturing non-push events during 2026 — −95% or worse by the end of the window. Every series here except Pushes fades for that reason, so a decline above reflects the archive, not this repository. Pushes stay reliable throughout, so read them, and the contributor counts derived from them, as the real signal. Data health has the measurements.
Top contributors
Pushes, PRs, issues, reviews and comments — stars and forks excluded, so this is contribution rather than popularity
| Contributor | Contributions | Pushes | PRs | Comments |
|---|---|---|---|---|
| Whitford | 175 | 76 | 2 | 45 |
| contessoto | 50 | 43 | 4 | 1 |
| aminsagar | 5 | 0 | 0 | 3 |
| dingedrice | 5 | 0 | 4 | 1 |
| mellofariam | 2 | 0 | 1 | 0 |
| junioreif | 2 | 2 | 0 | 0 |
| ed29rice | 1 | 0 | 0 | 1 |
| milosz-wieczor | 1 | 0 | 0 | 0 |
| smog-server | 1 | 0 | 0 | 1 |
| AnanyaPolymer | 1 | 0 | 0 | 0 |
| sandrabyju | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#77smog-server2026-04-08 14:57Support for COM-pull, many-particle potential, checkpoint at regular intervals
- Issue comment#111Whitford2026-01-03 08:31savefolder with minimization issue
- Issue comment#118Whitford2025-12-15 16:43parameter check
- Pull request#109mellofariam2025-12-05 14:04
- Issue comment#109Whitford2025-12-05 14:04Include support for custom angles defined in the XML file
- Issue#114Whitford2025-11-07 18:47dcd issue
- Issue comment#114Whitford2025-11-07 18:47dcd issue
- Issue comment#110Whitford2025-10-08 15:13Suggestion to add support for managing contact exclusions directly in the XML file
- Issue comment#111Whitford2025-09-15 13:34savefolder with minimization issue
- Issue#117Whitford2025-09-11 15:26failed top load appears to not return an error
- Issue comment#110Whitford2025-07-30 17:45Suggestion to add support for managing contact exclusions directly in the XML file
- Issue#97Whitford2025-07-11 04:41update routine descriptions
- Issue comment#110Whitford2025-07-11 04:35Suggestion to add support for managing contact exclusions directly in the XML file
- Issue comment#110Whitford2025-07-11 04:27Suggestion to add support for managing contact exclusions directly in the XML file
- Issue#112Whitford2025-07-07 13:45time saver on end
- Issue#111Whitford2025-07-02 19:55savefolder with minimization issue
- Issue#110mellofariam2025-06-24 16:33Suggestion to add support for managing contact exclusions directly in the XML file
- Issue comment#106Whitford2025-06-23 18:49different numbers of atoms in gro and top
- Issue comment#107Whitford2025-06-03 17:08add message about time units
- Issue#107Whitford2025-06-03 17:08add message about time units
- Issue comment#107dingedrice2025-05-31 22:46add message about time units
- Issue#107Whitford2025-05-19 02:05add message about time units
- Issue#106Whitford2025-04-24 01:52different numbers of atoms in gro and top
- Issue comment#105Whitford2025-04-24 01:51MinimizationReporter not available with openMM < 8.1.0
- Issue#105milosz-wieczor2025-03-18 15:05MinimizationReporter not available with openMM < 8.1.0
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 1 stars here means stars gained during the window, not the repo's star count.