pypi.org "MDAnalysis" keyword
maicos 0.13
Analyse molecular dynamics simulations of interfacial and confined systems.19 versions - Latest release: 9 days ago - 1 dependent repositories - 1.2 thousand downloads last month - 17 stars on GitHub - 3 maintainers
rcbs.py 0.2.0
Python package useful for analysing MD trajectories and creating QMMM models built on top of MDAn...7 versions - Latest release: almost 4 years ago - 26 downloads last month - 3 stars on GitHub - 1 maintainer
molclusters 0.9.0
Track the formation, growth, splitting, merging and lifetime of molecular clusters in molecular d...3 versions - Latest release: 8 days ago - 109 downloads last month - 1 stars on GitHub - 1 maintainer
scatterkit 0.1.1
SAXS analysis of molecular dynamics simulations.2 versions - Latest release: 6 months ago - 106 downloads last month - 7 stars on GitHub - 1 maintainer
solvate 0.1.0
Solvate confined geometries for MD simulations1 version - Latest release: 5 months ago - 19 downloads last month - 4 stars on GitHub - 1 maintainer
spectrumkit 0.1.0
Compute spectra from MD simulation data1 version - Latest release: 6 months ago - 4 downloads last month - 3 stars on GitHub - 3 maintainers
mdatools 0.3.1
Generic MD analysis tools for protein-ligand simulations4 versions - Latest release: 6 months ago - 64 downloads last month - 1 stars on GitHub - 1 maintainer
lipid-plots 0.1.0
MD analysis tools for lipid membrane geometry: packing defects, depth-disorder, tilt-torsion.1 version - Latest release: 7 months ago - 9 downloads last month - 1 stars on GitHub - 1 maintainer
prolint 2.0.0
Biomolecular Interaction Analysis from Molecular Dynamics Simulations1 version - Latest release: 10 months ago - 35 downloads last month - 5 stars on GitHub - 1 maintainer
enpmda 1.2.0
Parallel analysis for ensemble simulations7 versions - Latest release: 5 months ago - 1 dependent repositories - 239 downloads last month - 7 stars on GitHub - 1 maintainer
easymda 0.3.4
Easy MD Analysis (EMDA) is a Python package created with the aim of providing an easy, yet powerf...7 versions - Latest release: over 2 years ago - 19 downloads last month - 4 stars on GitHub - 1 maintainer
tunnelwiz 1.0
Compute and visualize biomolecular tunnels.1 version - Latest release: 9 months ago - 37 downloads last month - 1 maintainer
Related Keywords
molecular-dynamics
7
molecular dynamics
5
Science
4
Molecular Dynamics
4
molecular-dynamics-simulation
4
Confined Systems
3
computational-chemistry
2
python
2
simulations
2
biochemistry
2
biophysics
2
science
2
mdanalysis
2
structure-factor
1
tunnel
1
scattering
1
saxs
1
structural-biology
1
qmmm
1
qm-mm
1
molecular-simulation
1
molecular-modeling
1
chemistry
1
protein-ligand
1
hydrogen bonds
1
RMSD
1
visualization
1
clusters
1
nucleation
1
molecular clusters
1
membrane-proteins
1
lipids
1
lipid-protein-interactions
1
contact-analysis
1
biomolecular-interactions
1
simulation
1
protein
1
Dask
1
ENPMDA
1
membrane
1
lipid
1
Dielectric Spectra
1
confined-water
1