a package for developing machine learning-based chemically accurate energy and density functional models
active 2023-08-24 → 2026-07-13 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1055 days from 2023-08-24 to 2026-07-13. Pushes: 9 total, peak 2 in a day. Pull requests: 14 total, peak 3 in a day. Issues: 24 total, peak 4 in a day. Comments: 40 total, peak 3 in a day. Stars: 23 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 |
|---|---|---|---|---|
| y1xiaoc | 27 | 7 | 6 | 13 |
| yycx1111 | 18 | 0 | 0 | 8 |
| Shangguanying992 | 15 | 0 | 0 | 8 |
| xuwenli-nku | 5 | 0 | 0 | 4 |
| xuan112358 | 5 | 0 | 3 | 1 |
| ouqi0711 | 3 | 2 | 0 | 1 |
| njzjz-bot | 3 | 0 | 3 | 0 |
| ErjieWu | 2 | 0 | 0 | 1 |
| Chentao168 | 2 | 0 | 0 | 0 |
| JohnYan98 | 2 | 0 | 2 | 0 |
| njzjz | 1 | 0 | 0 | 1 |
| pzh-hnu | 1 | 0 | 0 | 0 |
| Yi-FanLi | 1 | 0 | 0 | 0 |
| Peter-Goa | 1 | 0 | 0 | 1 |
| QuantumMisaka | 1 | 0 | 0 | 1 |
| jameswind | 1 | 0 | 0 | 1 |
Recent activity
Latest issues, pull requests and releases
- Issue#92pzh-hnu2025-08-13 09:44DeePKS Variable component problem
- Issue#90yycx11112025-05-19 15:04log.data in 00.scf when doing training with DeePKS-L-develop's code is wrong
- Issue comment#89xuwenli-nku2025-05-09 05:25Pyscf version doesn't match DeePKS
- Issue comment#89y1xiaoc2025-05-07 17:15Pyscf version doesn't match DeePKS
- Issue comment#89xuwenli-nku2025-05-07 11:55Pyscf version doesn't match DeePKS
- Issue comment#89xuwenli-nku2025-05-05 05:00Pyscf version doesn't match DeePKS
- Issue comment#89y1xiaoc2025-04-28 17:03Pyscf version doesn't match DeePKS
- Issue comment#70xuwenli-nku2025-04-28 04:43Loss of Convergence in Iterative Loop (iter.00) Despite Initial Convergence Rates
- Issue#89xuwenli-nku2025-04-25 06:33Pyscf version doesn't match DeePKS
- Issue comment#88yycx11112025-04-15 12:57Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88xuan1123582025-04-02 03:22Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88yycx11112025-04-01 16:37Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88yycx11112025-04-01 02:53Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88yycx11112025-03-29 05:09Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88yycx11112025-03-29 05:06Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88yycx11112025-03-29 01:25Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Issue comment#88ErjieWu2025-03-28 09:31Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable
- Pull request#85xuan1123582025-03-15 09:56
- Issue#87yycx11112025-01-16 13:09Does deepks support slurm systems for ssh connections?
- Issue#86yycx11112025-01-06 13:25Parameters for regulating hybridised generalised functions are not supported in the scf_abacus.yaml file
- Issue#73yycx11112025-01-06 12:58Number of atoms in the deepks training system
- Issue#81yycx11112025-01-06 12:58problems of package and function versions in the case of running a single water molecule in deepks
- Issue comment#81yycx11112025-01-06 12:58problems of package and function versions in the case of running a single water molecule in deepks
- Issue#74yycx11112025-01-06 12:55How to get the atom.npy/energy.npy/force.npy for deepks training?
- Issue comment#81Peter-Goa2024-12-29 00:15problems of package and function versions in the case of running a single water molecule in deepks
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 23 stars here means stars gained during the window, not the repo's star count.