CHARMM and AMBER forcefields for OpenMM (with small molecule support)
active 2023-08-15 → 2026-07-31 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1082 days from 2023-08-15 to 2026-07-31. Pushes: 73 total, peak 6 in a day. Pull requests: 61 total, peak 8 in a day. Issues: 71 total, peak 7 in a day. Comments: 255 total, peak 8 in a day. Stars: 100 total, peak 2 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 |
|---|---|---|---|---|
| epretti | 138 | 10 | 16 | 69 |
| mattwthompson | 110 | 21 | 12 | 54 |
| mikemhenry | 95 | 29 | 19 | 33 |
| j-wags | 23 | 0 | 4 | 11 |
| codecov-commenter | 22 | 0 | 0 | 22 |
| ijpulidos | 22 | 7 | 1 | 11 |
| peastman | 16 | 3 | 0 | 8 |
| jchodera | 16 | 2 | 1 | 8 |
| jaketanderson | 7 | 0 | 1 | 4 |
| SchroedingersLion | 6 | 0 | 0 | 5 |
| dependabot[bot] | 6 | 0 | 3 | 3 |
| kimjc95 | 5 | 0 | 0 | 2 |
| arjun-nufc | 4 | 0 | 0 | 2 |
| IAlibay | 4 | 0 | 0 | 1 |
| pre-commit-ci[bot] | 3 | 1 | 2 | 0 |
| ZhouChenghui | 3 | 0 | 0 | 2 |
| MiloszGrabski | 3 | 0 | 0 | 2 |
| Stanvk | 3 | 0 | 1 | 1 |
| LilDojd | 3 | 0 | 0 | 2 |
| cap-jmk-real | 2 | 0 | 0 | 1 |
Recent activity
Latest issues, pull requests and releases
- Pull request#439epretti2026-04-27 17:34
- Pull request#439epretti2026-04-24 23:53
- Pull request#437Stanvk2026-04-12 23:00
- Issue comment#430epretti2026-04-01 16:35Support multi-residue molecules in template generator and improve performance
- Issue comment#430epretti2026-04-01 16:21Support multi-residue molecules in template generator and improve performance
- Issue comment#430codecov-commenter2026-03-04 01:44Support multi-residue molecules in template generator and improve performance
- Issue#422peastman2026-03-03 21:49Allow for SMIRNOFFTemplateGenerator to take a list of smirnoff force fields
- Issue#428peastman2026-03-03 21:49How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Pull request#423epretti2026-03-03 21:49
- Issue comment#423mattwthompson2026-03-02 22:34SMIRNOFF: multiple force field files, virtual sites, and constraints
- Issue#429epretti2026-02-24 22:39Unexpected / unintuitive behavior of template generator caches
- Issue comment#423j-wags2026-02-20 20:59SMIRNOFF: multiple force field files, virtual sites, and constraints
- Issue comment#423epretti2026-02-19 22:44SMIRNOFF: multiple force field files, virtual sites, and constraints
- Issue comment#428j-wags2026-01-27 00:47How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Issue comment#428mattwthompson2026-01-10 02:12How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Issue comment#428j-wags2026-01-10 01:05How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Issue comment#428j-wags2026-01-09 22:07How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Issue comment#428epretti2026-01-09 20:33How to handle constraints in a self-consistent way with `SMIRNOFFTemplateGenerator`?
- Issue comment#426peastman2025-12-19 23:46`TemplateGenerator._match_residue()` is too slow
- Releasemikemhenry2025-12-18 22:030.15.1
- Pull request#425mikemhenry2025-12-18 22:01
- Pull request#425mikemhenry2025-12-18 21:31
- Issue comment#424mattwthompson2025-12-17 13:44`0.15.1` Release
- Issue comment#424epretti2025-12-16 19:03`0.15.1` Release
- Issue comment#423codecov-commenter2025-12-12 23:58SMIRNOFF: support virtual sites, multiple force field files
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 100 stars here means stars gained during the window, not the repo's star count.