Advanced toolkit for binding free energy calculations
active 2023-08-24 → 2025-09-12 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 751 days from 2023-08-24 to 2025-09-12. Pushes: 17 total, peak 5 in a day. Pull requests: 10 total, peak 3 in a day. Issues: 27 total, peak 3 in a day. Comments: 106 total, peak 11 in a day. Stars: 4 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 |
|---|---|---|---|---|
| jaketanderson | 54 | 4 | 9 | 30 |
| jeff231li | 37 | 13 | 1 | 14 |
| bowensha-tudelft | 36 | 0 | 0 | 21 |
| slochower | 10 | 0 | 0 | 8 |
| j-wags | 9 | 0 | 0 | 7 |
| jset231 | 8 | 0 | 0 | 8 |
| martinj80 | 6 | 0 | 0 | 5 |
| camattelaer | 5 | 0 | 0 | 2 |
| github-advanced-security[bot] | 5 | 0 | 0 | 5 |
| codecov[bot] | 4 | 0 | 0 | 4 |
| lgsmith | 2 | 0 | 0 | 1 |
| nhenriksen | 1 | 0 | 0 | 1 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#219jaketanderson2025-09-12 04:48Small doc change
- Issue comment#219codecov[bot]2025-09-12 04:42Small doc change
- Pull request#210jaketanderson2025-09-02 20:33
- Issue comment#219jeff231li2025-09-02 20:18Small doc change
- Issue comment#210jeff231li2025-09-02 20:17Create Codacy workflow
- Issue comment#210jaketanderson2025-08-31 02:12Create Codacy workflow
- Issue#220jaketanderson2025-07-20 20:24Outdated NumPy
- Pull request#219jaketanderson2025-07-16 23:42
- Issue comment#218jaketanderson2025-07-15 22:51Percentage VS fraction in restraint dictionaries
- Issue#218jaketanderson2025-07-14 23:22Percentage VS fraction in restraint dictionaries
- Issue#217bowensha-tudelft2025-07-10 09:43Inquiry about calculation of enthalpy
- Issue comment#217bowensha-tudelft2025-07-08 17:40Inquiry about calculation of enthalpy
- Issue comment#217jaketanderson2025-07-08 16:54Inquiry about calculation of enthalpy
- Issue comment#210jaketanderson2025-06-16 20:56Create Codacy workflow
- Issue#209bowensha-tudelft2025-06-16 10:28Inquiry about monitoring the trajectory of attach-pull-release method.
- Issue#216bowensha-tudelft2025-06-16 10:23Inquiry about setting up initial structure for apr
- Issue comment#215jaketanderson2025-05-23 04:12Infinite binding affinity even though the trajectories and structures are normal.
- Issue#215jaketanderson2025-05-23 04:12Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215bowensha-tudelft2025-05-18 13:59Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215bowensha-tudelft2025-05-18 13:39Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215jaketanderson2025-05-18 00:05Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215bowensha-tudelft2025-05-17 23:53Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215jaketanderson2025-05-17 23:43Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215bowensha-tudelft2025-05-17 12:51Infinite binding affinity even though the trajectories and structures are normal.
- Issue comment#215jaketanderson2025-05-17 02:00Infinite binding affinity even though the trajectories and structures are normal.
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 4 stars here means stars gained during the window, not the repo's star count.