PyDigger - unearthing stuff about Python


NameVersionSummarydate
MDPOW 0.9.0 A library for computing solvation/water partitioning coefficients using molecular dynamics simulations 2024-10-11 16:29:58
mmpbsa-analysis-software 1.0 MMPBSA Analysis Software using GROMACS and APBS 2024-04-24 05:50:00
aiida-gromacs 2.0.7 A plugin for using GROMACS with AiiDA for molecular dymanics simulations. 2024-01-23 11:59:31
MDbrew 2.4.1 Postprocessing tools for the MD simulation results (ex. lammps) 2023-11-06 12:36:20
acpype 2023.10.27 ACPYPE - AnteChamber PYthon Parser interfacE 2023-10-27 07:52:43
cleanup-sims 0.0.1 Cleans up your messy Gromacs simulations 2023-02-07 08:24:37
logdensity 0.1.dev0 take the logarithm of a cryo-EM density 2022-12-02 14:08:55
rigidbodyfit 1.1 Align biomolecular structures with densities 2022-05-09 17:56:42
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