pypi.org "mdanalysis" keyword
View the packages on the pypi.org package registry that are tagged with the "mdanalysis" keyword.
Top 1.7% on pypi.org
51 versions - Latest release: 6 months ago - 34 dependent packages - 47 dependent repositories - 88.8 thousand downloads last month - 1,316 stars on GitHub - 4 maintainers
mdanalysis 2.9.0
An object-oriented toolkit to analyze molecular dynamics trajectories.51 versions - Latest release: 6 months ago - 34 dependent packages - 47 dependent repositories - 88.8 thousand downloads last month - 1,316 stars on GitHub - 4 maintainers
zarrtraj 0.3.2
This is a kit that provides the ability to read and write trajectory data in the Zarr file format7 versions - Latest release: about 2 months ago - 16 downloads last month - 9 stars on GitHub - 2 maintainers
Top 4.9% on pypi.org
25 versions - Latest release: over 1 year ago - 2 dependent packages - 4 dependent repositories - 8.12 thousand downloads last month - 441 stars on GitHub - 1 maintainer
prolif 2.0.3
Interaction Fingerprints for protein-ligand complexes and more25 versions - Latest release: over 1 year ago - 2 dependent packages - 4 dependent repositories - 8.12 thousand downloads last month - 441 stars on GitHub - 1 maintainer
Top 6.0% on pypi.org
47 versions - Latest release: 6 months ago - 2 dependent repositories - 4.02 thousand downloads last month - 1,456 stars on GitHub - 5 maintainers
mdanalysistests 2.9.0
MDAnalysis testsuite47 versions - Latest release: 6 months ago - 2 dependent repositories - 4.02 thousand downloads last month - 1,456 stars on GitHub - 5 maintainers
basicrta 1.1.2
A package to extract binding kinetics from molecular dynamics simulations8 versions - Latest release: about 2 months ago - 64 downloads last month - 0 stars on GitHub - 2 maintainers
mdkits 1.0.2
kits for md or dft42 versions - Latest release: about 2 months ago - 134 downloads last month - 2 stars on GitHub - 1 maintainer
pylfda 1.1.6
pyLFDA is a tool which allows analysis of pairwise lipid force distribution along with other func...5 versions - Latest release: almost 4 years ago - 1 dependent repositories - 30 downloads last month - 3 stars on GitHub - 1 maintainer
maicos 0.11.2
Analyse molecular dynamics simulations of interfacial and confined systems.17 versions - Latest release: about 2 months ago - 1 dependent repositories - 796 downloads last month - 10 stars on GitHub - 3 maintainers
domhmm 1.1.1
HMM model to determine Lo or Ld domains from coarse grained or atomistic MD simulations.2 versions - Latest release: 5 months ago - 22 downloads last month - 7 stars on GitHub - 1 maintainer
mdacli 0.1.32
A command line client for MDAnalysis Analysis classes.26 versions - Latest release: about 1 year ago - 1 dependent package - 1 dependent repositories - 1.1 thousand downloads last month - 20 stars on GitHub - 2 maintainers
mdhelper 1.0.0
A batteries-included toolkit of analysis modules and helper functions3 versions - Latest release: over 1 year ago - 22 downloads last month - 8 stars on GitHub - 1 maintainer
mdanalysisdata 0.9.0
MDAnalysis example data13 versions - Latest release: almost 2 years ago - 1 dependent repositories - 246 downloads last month - 17 stars on GitHub - 2 maintainers
mdahole2 0.5.0
A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway...2 versions - Latest release: 10 months ago - 11.6 thousand downloads last month - 7 stars on GitHub - 1 maintainer
pmda 0.3.0
Parallel Molecular Dynamics Analysis tools6 versions - Latest release: almost 6 years ago - 1 dependent repositories - 64 downloads last month - 31 stars on GitHub - 2 maintainers
membrane-curvature 1.1.1
MDAnalysis tool to calculate membrane curvature from MD simulations.5 versions - Latest release: over 1 year ago - 1 dependent repositories - 105 downloads last month - 32 stars on GitHub - 2 maintainers
rotamerconvolvemd 1.3.2
Analysis of spin label distances over structural ensembles5 versions - Latest release: about 5 years ago - 1 dependent repositories - 21 downloads last month - 7 stars on GitHub - 2 maintainers
pylfda-1.0 1.0
pyLFDA is a tool which allows analysis of pairwise lipid force distribution along with other func...1 version - Latest release: almost 4 years ago - 2 downloads last month - 3 stars on GitHub - 1 maintainer
imdclient 0.2.2
Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD11 versions - Latest release: about 2 months ago - 414 downloads last month - 7 stars on GitHub - 3 maintainers
pytim 1.0.4
Python Tool for Interfacial Molecules Analysis23 versions - Latest release: 3 months ago - 1 dependent repositories - 264 downloads last month - 78 stars on GitHub - 1 maintainer
propkatraj 2.0.1
Obtain pKas for titreatable residues from a simulation trajectory.6 versions - Latest release: 11 months ago - 1 dependent repositories - 102 downloads last month - 29 stars on GitHub - 3 maintainers
dflow-galaxy 0.1.9
A toolkit featured artificial intelligence × ab initio for computational chemistry research.14 versions - Latest release: over 1 year ago - 118 downloads last month - 62 stars on GitHub - 1 maintainer
Related Keywords
python
12
molecular-dynamics
12
science
8
molecular-dynamics-simulation
7
molecular
6
simulations
6
analysis
5
trajectory-analysis
4
computational-chemistry
3
molecular-simulation
3
chemistry
3
lammps
2
lipidomics
2
analysis-package
2
Analysis
2
Lipidomics
2
Python
2
molecular dynamics
2
md
2
biophysics
2
streaming
2
openmm
2
interfacial-atoms
1
file-format
1
transporter pathway
1
structural-biology
1
interfaces
1
gromacs
1
parallel
1
data-analysis
1
dask
1
charmm
1
pre
1
electron-paramagnetic-resonance
1
deer
1
proteins
1
mdtraj
1
molecular-simulations
1
namd
1
sasa
1
scientific-computing
1
willard-chandler
1
pandas
1
pka-predictions
1
cp2k
1
deepmd
1
hpc
1
lasp
1
slurm
1
vasp
1
workflow
1
zarr
1
drug-design
1
cheminformatics
1
chemoinformatics
1
interaction-fingerprint
1
docking
1
drug-discovery
1
rdkit
1
bayesian-inference
1
lipids
1
moleculardynamics
1
density functional theory
1
density-functional-theory
1
Science
1
Molecular Dynamics
1
Confined Systems
1
MDAnalysis
1
confined-water
1
membranes
1
open-source
1
simulation
1
cli
1
command-line
1
command-line-tool
1
trajectory-analysis mdanalysis
1
md-simulation
1
dataset-manager
1
molecular simulations
1
ion channel
1