GitHub topics: molecular-dynamics-trajectories
uibcdf/molsysmt
Open source library to work with molecular systems
Language: Python - Size: 379 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 13 - Forks: 3
mdtraj/mdtraj
An open library for the analysis of molecular dynamics trajectories
Language: Python - Size: 34.9 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 664 - Forks: 291
wolearyc/ramannoodle
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..
Language: Python - Size: 11 MB - Last synced at: about 16 hours ago - Pushed at: 27 days ago - Stars: 8 - Forks: 4
LoLab-MSM/PyBILT
Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
Language: Python - Size: 31.3 MB - Last synced at: about 2 months ago - Pushed at: over 4 years ago - Stars: 25 - Forks: 9
