pypi.org "molecular-dynamics-trajectories" keyword
Top 1.7% on pypi.org
45 versions - Latest release: about 1 month ago - 37 dependent packages - 148 dependent repositories - 168 thousand downloads last month - 744 stars on GitHub - 6 maintainers
mdtraj 1.11.2
MDTraj: A modern, open library for the analysis of molecular dynamics trajectories45 versions - Latest release: about 1 month ago - 37 dependent packages - 148 dependent repositories - 168 thousand downloads last month - 744 stars on GitHub - 6 maintainers
ramannoodle 0.5.0
Calculate Raman spectra from first-principles calculations.7 versions - Latest release: about 2 years ago - 23 downloads last month - 10 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
2
python
2
vibrational-analysis
1
vasp-processing
1
vasp-calculations
1
spectroscopy
1
raman-spectrum
1
raman-spectroscopy
1
raman-spectra
1
raman-cross-section
1
phonopy
1
molecular-dynamics-analysis
1
machine-learning
1
graph-neural-networks
1
density-functional-theory
1
polarizability
1
dynamics
1
molecular
1
phonons
1
dft
1
vasp
1
spectrum
1
raman
1
rmsd
1
pdb-files
1
pdb
1
mdtraj
1
dihedral-angles
1