pip install MDAnalysis==2.0.0
An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
SourceAmong top 5% packages on PyPI.
Over 27.0K downloads in the last 90 days.
MDAnalysis
Based on how often these packages appear together in public
requirements.txt
files on GitHub.
Can format your listfiles so they don't look like crap |
|
VTK is an open-source toolkit for 3D computer graphics, image processing, and visualization |
|
I/O for many mesh formats |
|
Extra functions on the built-in `float` similar to those on `Decimal`. |
|
Dispatch your trivially parallizable jobs with sharedmem. |
|
Galactic dynamics in Python |
|
Read and write common file formats to Amazon S3 and local files |
|
Static caching of files from Amazon S3, using baiji |
|
High-level Python abstraction layer for Amazon S3 |
|
Social media brand analytics |
|
Complete pipeline for easy data fitting with Python. |
|
Healpix tools package for Python |
|
Python application support |
|
A python module creating/accessing GTF-based interval trees with associated meta-data |
|
Utilities and tools for machine learning on BOLD-fMRI data. |
|
Tools for making and managing 1D subsurface data. |
|
Platform independent interfacing of numpy arrays of floats with audio files and devices. |
|
GUANO, the "Grand Unified" bat acoustics metadata format |
|
Spectrum Analysis Tools |
MDAnalysis
Proportion of downloaded versions in the last 3 months (only versions over 1%).
2.0.0 |
47.25% |
2.0.0b0 |
9.02% |
1.1.1 |
8.83% |
0.8.1 |
7.81% |
1.0.0 |
4.68% |
1.0.1 |
1.33% |
0.20.1 |
1.16% |
0.15.0 |
1.03% |