PyDigger - unearthing stuff about Python


NameVersionSummarydate
plams 2025.104 Python Library for Automating Molecular Simulations 2025-08-18 08:42:59
gmx-clusterByFeatures 0.1.18 Features Based Conformational Clustering of Molecular Dynamics trajectories. 2025-02-23 16:35:04
meeko 0.6.1 Python package for preparing small molecule for docking 2024-11-18 23:19:07
cosolvkit 0.5.0 CosolvKit 2024-07-15 21:01:20
metatensor 0.2.0 Self-describing sparse tensor data format for atomistic machine learning and beyond 2024-01-26 17:27:15
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