Ecosyste.ms: Packages
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conda-forge.org "mdanalysis" keyword
mdacli 0.1.19
mdacli is a simple command line interface (CLI) to the analysis classes of MDAnalysis using argpa...3 versions - Latest release: over 1 year ago - 1 dependent package - 13 stars on GitHub
mdanalysisdata 0.8.1
The MDAnalysisData package unifies access to test and example trajectories that can be used for w...6 versions - Latest release: over 2 years ago - 1 dependent repositories - 6 stars on GitHub
pmda 0.3.0
Ready to use analysis and buildings blocks to write parallel analysis algorithms using MDAnalysis...4 versions - Latest release: over 4 years ago - 29 stars on GitHub
rotamerconvolvemd 1.3.2
This package analyses molecular dynamics trajectories or conformational ensembles in terms of spi...2 versions - Latest release: almost 4 years ago - 6 stars on GitHub
mdanalysistests 2.3.0
MDAnalysis is a Python library to analyze molecular dynamics simulations.16 versions - Latest release: over 1 year ago - 1 dependent repositories - 985 stars on GitHub
Top 7.4% on conda-forge.org
14 versions - Latest release: over 1 year ago - 15 dependent packages - 32 dependent repositories - 1,082 stars on GitHub
mdanalysis 2.3.0
MDAnalysis is a Python library to analyze trajectories from molecular dynamics (MD) simulations. ...14 versions - Latest release: over 1 year ago - 15 dependent packages - 32 dependent repositories - 1,082 stars on GitHub
pytim 0.9.0
Pytim provides a set of tools for interfacial analysis in molecular simulations. Most major confi...10 versions - Latest release: about 2 years ago - 62 stars on GitHub
mdsynthesis 0.6.1
As computing power increases, it is now possible to produce hundreds of molecular dynamics simula...1 version - Latest release: over 1 year ago - 1 dependent package - 30 stars on GitHub
maicos 0.6.1
MAICoS is an object-oriented python toolkit for analysing the structure and dynamics of interfaci...2 versions - Latest release: over 1 year ago - 12 stars on GitLab.com
Related Keywords
python
8
molecular-dynamics
6
science
6
molecular-dynamics-simulation
5
computational-chemistry
3
trajectory-analysis
3
molecular-simulation
2
interfacial-atoms
1
lammps
1
mdtraj
1
molecular-simulations
1
namd
1
openmm
1
sasa
1
scientific-computing
1
simulations
1
willard-chandler
1
database
1
confined systems
1
molecular dynamics
1
molecular-dynamics-trajectories
1
interfaces
1
gromacs
1
data-analysis
1
charmm
1
pre
1
electron-paramagnetic-resonance
1
deer
1
parallel
1
dask
1
analysis
1
dataset-manager
1
command-line-tool
1
command-line
1
cli
1