Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "molecular-dynamics-simulation" keyword
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
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
pytng 0.2.3
PyTNG is a Python library to read TNG files. The TNG format is used by molecular simulation pack...5 versions - Latest release: over 1 year ago - 12 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
yank 0.25.2
YANK is a testbed for experimenting with algorithms for the efficient computation of small molecu...1 version - Latest release: over 3 years ago - 2 dependent packages - 1 dependent repositories - 149 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
Related Keywords
python
6
mdanalysis
5
science
5
molecular-dynamics
4
computational-chemistry
3
trajectory-analysis
3
molecular-simulation
2
database
1
openmm
1
mskcc
1
free-energy-perturbation
1
free-energy
1
drug-discovery
1
alchemical-free-energy-calculations
1
alchemical
1
pre
1
electron-paramagnetic-resonance
1
deer
1
trajectory
1
gromacs
1
file-format
1
command-line-tool
1
command-line
1
cli
1