PyDigger - unearthing stuff about Python


NameVersionSummarydate
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
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