PyDigger - unearthing stuff about Python


NameVersionSummarydate
freud-analysis 3.0.0 Powerful, efficient trajectory analysis in scientific Python. 2024-02-23 14:27:48
covdrugsim 1.0.4 Package to automate quantum mechanical calculations and molecular dynamics simulations of covalent drugs. 2024-02-21 21:35:32
locuaz 0.7.5.2 Antibody optimization protocol 2024-01-24 13:14:46
mdakit-sasa 0.2.6 This kit allows the calculation of a solvent-accessible-surface area of a trajectory 2023-12-29 20:34:29
pygamd 1.4.4 Python GPU-Accelerated Molecular Dynamics Software 2023-12-09 08:47:45
PDAnalysis 0.0.4 Software for analysing deformation between protein structures. 2023-11-20 13:02:18
mdaencore 1.0.0 Ensemble overlap comparison software for molecular data. 2023-11-09 23:15:01
waterdynamics 1.0.0 Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules. 2023-10-18 19:31:21
polyply 1.6.0 2023-10-10 09:34:13
transport-analysis 0.1.0 A Python package to compute and analyze transport properties. 2023-10-08 07:52:23
openmm-mdanalysis-reporter 0.1 MDAnalysis based reporter for OpenMM 2023-05-25 21:24:16
pdb2pqr 3.6.1 Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation. 2023-03-12 21:05:49
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