Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
active 2023-08-16 → 2025-12-07 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 845 days from 2023-08-16 to 2025-12-07. Pushes: 22 total, peak 6 in a day. Pull requests: 6 total, peak 2 in a day. Issues: 15 total, peak 4 in a day. Comments: 24 total, peak 6 in a day. Stars: 34 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 |
|---|---|---|---|---|
| dkoes | 28 | 10 | 3 | 13 |
| drewnutt | 16 | 12 | 3 | 1 |
| jacobdurrant | 10 | 0 | 0 | 5 |
| GregorySchwing | 7 | 0 | 0 | 3 |
| niccolo93 | 3 | 0 | 0 | 1 |
| Jalil-Mahdizadeh | 2 | 0 | 0 | 1 |
| drorhunvural | 2 | 0 | 0 | 0 |
| Scinawa | 1 | 0 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#125dkoes2025-04-13 20:11Can libmolgrid be installed on osx?
- Issue#125Scinawa2025-04-13 05:59Can libmolgrid be installed on osx?
- Issue comment#124Jalil-Mahdizadeh2025-03-29 19:07The same atom typer for receptor and ligand
- Issue comment#124dkoes2025-03-29 16:57The same atom typer for receptor and ligand
- Issue#124Jalil-Mahdizadeh2025-03-29 15:18The same atom typer for receptor and ligand
- Pull request#123dkoes2024-07-22 20:36
- Issue comment#123drewnutt2024-07-22 19:56add length and DDP support to MolIterDataset
- Pull request#123drewnutt2024-07-22 19:54
- Releasedkoes2024-07-12 16:36v0.5.5
- Pull request#122dkoes2024-07-09 15:28
- Pull request#122drewnutt2024-07-08 18:46
- Pull request#121dkoes2024-07-02 21:21
- Pull request#121drewnutt2024-07-02 19:32
- Issue comment#119jacobdurrant2024-06-06 01:53Saving in-memory cache to disk
- Issue#119jacobdurrant2024-06-06 01:53Saving in-memory cache to disk
- Issue comment#119dkoes2024-05-31 11:49Saving in-memory cache to disk
- Releasedkoes2024-05-31 11:36v0.5.4
- Issue comment#119jacobdurrant2024-05-30 23:10Saving in-memory cache to disk
- Issue comment#119dkoes2024-05-29 14:15Saving in-memory cache to disk
- Issue comment#119dkoes2024-05-29 14:13Saving in-memory cache to disk
- Issue comment#119jacobdurrant2024-05-28 17:10Saving in-memory cache to disk
- Issue comment#119jacobdurrant2024-05-27 18:23Saving in-memory cache to disk
- Issue#119jacobdurrant2024-05-27 18:23Saving in-memory cache to disk
- Issue comment#120jacobdurrant2024-05-27 18:21Specifying grid centers for all Examples in a batch
- Issue#120jacobdurrant2024-05-27 18:21Specifying grid centers for all Examples in a batch
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 34 stars here means stars gained during the window, not the repo's star count.