| Name | Version | Summary | date |
|---|---|---|---|
| QuantumTuna | 0.5.0 | A user-friendly quantum chemistry program for diatomics. | 2024-09-21 23:01:15 |
| tad-mctc | 0.2.3 | Torch Autodiff Utility | 2024-09-19 02:37:37 |
| dxtb | 0.1.0 | Fully Differentiable Approach to Extended Tight Binding | 2024-09-18 14:04:51 |
| dspawpy | 1.6.0 | Tools for dspaw | 2024-08-09 02:10:55 |
| psi4-step | 2024.7.30 | A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 | 2024-07-30 15:28:38 |
| packaging-extrapolation | 1.1.0 | Extrapolation methods for complete basis sets | 2024-06-18 08:39:20 |
| qmllib | 1.0.1 | Python/Fortran toolkit for representation of molecules and solids for machine learning of properties of molecules and solids. | 2024-03-29 20:19:01 |
| hour | day | week | total |
|---|---|---|---|
| 20 | 2075 | 9708 | 250333 |