An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
active 2023-08-30 → 2026-07-31 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1067 days from 2023-08-30 to 2026-07-31. Pushes: 113 total, peak 9 in a day. Pull requests: 10 total, peak 4 in a day. Issues: 81 total, peak 4 in a day. Comments: 297 total, peak 16 in a day. Stars: 155 total, peak 10 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 |
|---|---|---|---|---|
| QuantumLab-ZY | 257 | 113 | 3 | 138 |
| newplay | 47 | 0 | 0 | 35 |
| flamingoXu | 27 | 0 | 0 | 18 |
| liee11-bit | 21 | 0 | 0 | 16 |
| Vahid999 | 16 | 0 | 0 | 11 |
| Youhaojen | 12 | 0 | 0 | 8 |
| smkMain | 9 | 0 | 0 | 8 |
| fffffreeeeee | 8 | 0 | 0 | 6 |
| nukenadal | 8 | 0 | 0 | 5 |
| miicck | 6 | 0 | 1 | 3 |
| SharpLonde | 6 | 0 | 0 | 5 |
| Dengsongquanch | 6 | 0 | 0 | 5 |
| BraunSakai | 5 | 0 | 0 | 5 |
| cherly1 | 5 | 0 | 0 | 3 |
| xyc2718 | 5 | 0 | 1 | 2 |
| Ljiamin195 | 5 | 0 | 0 | 2 |
| ayitido | 5 | 0 | 0 | 4 |
| MatthewMa-C | 4 | 0 | 0 | 3 |
| bud-primordium | 4 | 0 | 1 | 1 |
| 2004huwa | 4 | 0 | 4 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#101QuantumLab-ZY2026-05-27 02:17Failure to Generate graph_data.npz for ABACUS LCAO Calculations
- Issue#97hjunxi222026-04-15 02:13ABACUS SOC `graph_data.npz` seems incompatible with the public Uni-HamGNN predictor (`so3` expects `Lon/Loff`)
- Issue comment#95QuantumLab-ZY2026-04-09 07:36Parameter settings in parallel band structure calculation
- Pull request#86QuantumLab-ZY2026-03-19 08:34
- Pull request#922004huwa2026-03-19 08:08
- Pull request#912004huwa2026-03-19 07:45
- Pull request#892004huwa2026-03-19 07:45
- Issue#85ebarati2026-02-09 18:08NAO_MAX=14 vs 13 orbitals for carbon-petadiamond in the model pipeline
- Issue#84hjunxi222026-01-29 05:57pythonUni-HamiltonianPredictor.py --configInput.yaml error
- Issue comment#83QuantumLab-ZY2026-01-20 02:01Problems of abacus-postprocess
- Issue#83LuckyBoyYao2026-01-19 07:25Problems of abacus-postprocess
- Pull request#822004huwa2026-01-19 03:12
- Issue comment#80Ljiamin1952025-12-26 05:42RuntimeError: The size of tensor a (8) must match the size of tensor b (84) at non-singleton dimension 0.
- Issue comment#77QuantumLab-ZY2025-12-19 03:02Inquiry on Using Force and Piezoelectric Modules in HamGNN
- Issue comment#74bud-primordium2025-12-12 03:51`mpitool` wheel requires legacy MKL/MPI libraries not found in newer oneAPI environments
- Issue#74bud-primordium2025-12-12 03:51`mpitool` wheel requires legacy MKL/MPI libraries not found in newer oneAPI environments
- Issue#76WendyYW2025-12-11 03:45High Memory Consumption (~80GB) with Batch Size=1 on SOC Dataset: Is this expected?
- Pull request#75bud-primordium2025-12-09 12:21
- Issue#74bud-primordium2025-12-09 11:21`mpitool` wheel requires legacy MKL/MPI libraries not found in newer oneAPI environments
- Issue comment#7335325645932025-11-22 08:04Can universal_Hamiltonian.ckpt be used to predict perturbed structures for subsequent EPC calculations
- Issue#7335325645932025-11-08 16:36Can universal_Hamiltonian.ckpt be used to predict perturbed structures for subsequent EPC calculations
- Issue comment#70QuantumLab-ZY2025-11-03 08:32Unexpected Band Structure Results and Extremely Low Hamiltonian MAE (9.13e-07) in HamGNN Training for CsPbI3 MD Snapshots
- Issue comment#70liee11-bit2025-11-03 08:23Unexpected Band Structure Results and Extremely Low Hamiltonian MAE (9.13e-07) in HamGNN Training for CsPbI3 MD Snapshots
- Issue comment#72QuantumLab-ZY2025-11-03 06:43Excessive inv_edge_idx error when building graphs for 2D graphene structures using Siesta interface
- Issue comment#70QuantumLab-ZY2025-10-31 07:13Unexpected Band Structure Results and Extremely Low Hamiltonian MAE (9.13e-07) in HamGNN Training for CsPbI3 MD Snapshots
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 155 stars here means stars gained during the window, not the repo's star count.