73 skills found · Page 1 of 3
mdtraj / MdtrajAn open library for the analysis of molecular dynamics trajectories
bjing2016 / MdgenGenerative modeling of molecular dynamics trajectories
aai-research-lab / FastMDAnalysisSoftware for automated analysis of molecular dynamics trajectories
jag1g13 / PycgtoolGenerate coarse-grained molecular dynamics models from atomistic trajectories.
boscoh / Pdbremixanalyse PDB files, run molecular-dynamics & analyse trajectories
RUBi-ZA / MD TASKTool suite for analysing molecular dynamics trajectories using network analysis and PRS
dadaoqiuzhi / RMD DiggingRMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.
HITS-MBM / ConanAnalysis of contacts in molecular dynamics trajectories
lab-cosmo / FlashmdA universal ML model to predict molecular dynamics trajectories with long time steps
harmsm / Md Analysis Toolsscripts for analyzing molecular dynamics trajectories using VMD
mdtraj / TftrajMolecular dynamics trajectory analysis in Tensorflow
marrink-lab / MDVoxelSegmentationA voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.
datreant / MDSynthesisa logistics and persistence engine for the analysis of molecular dynamics trajectories
mobiochem / MoBioToolsA simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories.
rjdkmr / Do X3dnaTo analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.
hmcezar / ClusttrajPython script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar structures.
ymatsunaga / MdtoolboxMDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories
LoLab-MSM / PyBILTToolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
marcinmiklitz / Pywindowpywindow is a Python package for structural analysis of discrete molecules with voids and windows, individually, in molecular systems and molecular dynamics trajectories of these.
simongravelle / NmrformdNMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
