PyDigger - unearthing stuff about Python


NameVersionSummarydate
mopac-step 2024.3.17 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2024-03-17 10:06:49
forcefield-step 2024.1.10 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2024-01-10 16:16:11
qforce 0.6.12 Q-Force: Quantum mechanically augmented molecular force fields 2023-11-03 22:50:00
open3SPN2 0.3.2 2023-10-24 18:20:42
Auto-FOX 0.10.2 A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters. 2022-08-31 15:32:15
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