Name | Version | Summary | date |
---|---|---|---|
popcornn | 0.1.0 | Path Optimization with a Continuous Representation Neural Network (popcornn) optimizes molecular reaction paths along analytic and MLIP potentials. | 2025-09-05 23:41:53 |
StereoMolGraph | 0.0.0b8 | A graph library for chiral molecules, reactions and transition states | 2025-08-29 12:37:06 |
firecode | 1.1.0 | Computational chemistry general purpose ensemble optimizer and transition state builder | 2024-12-24 11:55:43 |
tscode | 0.4.16 | Computational chemistry general purpose transition state builder and ensemble optimizer | 2024-04-02 17:44:21 |
hour | day | week | total |
---|---|---|---|
82 | 1557 | 10014 | 320198 |