Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling
active 2023-11-28 → 2025-10-26 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 699 days from 2023-11-28 to 2025-10-26. Pushes: 10 total, peak 4 in a day. Pull requests: 2 total, peak 1 in a day. Issues: 0 total, peak 0 in a day. Comments: 9 total, peak 4 in a day. Stars: 2 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 |
|---|---|---|---|---|
| stevenayoub | 14 | 7 | 0 | 7 |
| megosato | 3 | 3 | 0 | 0 |
| davidlmobley | 3 | 0 | 1 | 2 |
| kexul | 1 | 0 | 1 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#164stevenayoub2025-05-21 21:04Torsional move new
- Issue comment#112stevenayoub2025-05-21 20:22[WIP] Modifications to acceptance ratio from Moves
- Issue comment#160stevenayoub2025-05-21 20:04Side chain bias - pull request
- Issue comment#164stevenayoub2025-05-21 20:02Torsional move new
- Issue comment#113stevenayoub2025-05-20 22:54[WIP] Analysis tools for identifying ligand binding modes from MD or BLUES simulations.
- Issue comment#156stevenayoub2025-05-20 22:34[WIP] Control where additional nprop steps are added in the lambda protocol
- Issue comment#163davidlmobley2025-05-19 16:28v0.3.0 API changes for OpenMMTools compatibility
- Pull request#163davidlmobley2025-05-19 16:28
- Issue comment#163stevenayoub2025-05-12 22:19v0.3.0 API changes for OpenMMTools compatibility
- Issue comment#163davidlmobley2025-05-07 14:04v0.3.0 API changes for OpenMMTools compatibility
- Releasedavidlmobley2025-05-07 14:03Version 0.2.6
- Pull request#175kexul2023-11-28 06:35
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 2 stars here means stars gained during the window, not the repo's star count.