Name | Version | Summary | date |
---|---|---|---|
firecode | 1.0.0 | Computational chemistry general purpose ensemble optimizer and transition state builder | 2024-07-05 23:30:46 |
dxtb | 0.0.1 | Fully Differentiable Approach to Extended Tight Binding | 2024-06-30 10:17:50 |
tscode | 0.4.16 | Computational chemistry general purpose transition state builder and ensemble optimizer | 2024-04-02 17:44:21 |
hour | day | week | total |
---|---|---|---|
66 | 1320 | 9690 | 225039 |