Top 1.9% downloads on pypi.org
Top 0.7% dependent packages on pypi.org
Top 2.1% dependent repos on pypi.org
Top 2.1% forks on pypi.org
pypi.org : mdanalysis
An object-oriented toolkit to analyze molecular dynamics trajectories.
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purl: pkg:pypi/mdanalysis
Keywords:
python
, science
, chemistry
, biophysics
, molecular-dynamics
, computational-chemistry
, molecular-simulation
, analysis
, trajectory-analysis
, mdanalysis
, molecular-dynamics-simulation
License: Other
Latest release: about 1 month ago
First release: over 11 years ago
Dependent packages: 34
Dependent repositories: 47
Downloads: 74,269 last month
Stars: 1,316 on GitHub
Forks: 650 on GitHub
Docker dependents: 1
Docker downloads: 84
Total Commits: 6058
Committers: 254
Average commits per author: 23.85
Development Distribution Score (DDS): 0.821
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: 1 day ago
mdpertool 0.0.1.dev3
A Software Tool for Investigation of Allosteric Communication within Protein Structures via Energ...3 versions - Latest release: 11 months ago - 1 dependent repositories - 24 downloads last month - 6 stars on GitHub - 1 maintainer
mdhelper 1.0.0
A batteries-included toolkit of analysis modules and helper functions3 versions - Latest release: 12 months ago - 161 downloads last month - 8 stars on GitHub - 1 maintainer
arctic3d 0.4.1
Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information1 version - Latest release: 12 months ago - 51 downloads last month - 25 stars on GitHub - 1 maintainer
tripp 0.1.9 removed
Trajectory Iterative pKa Predictor10 versions - Latest release: about 1 year ago - 32 downloads last month - 1 maintainer
catflow 0.5.1
Analyzing tool for deep learning based chemical research.4 versions - Latest release: about 1 year ago - 136 downloads last month - 2 stars on GitHub - 1 maintainer
simlify 0.0.0.post76 💰
Simplify your molecular simulation workflow.2 versions - Latest release: about 1 year ago - 60 downloads last month - 614 stars on GitHub - 1 maintainer
prolif 2.0.3
Interaction Fingerprints for protein-ligand complexes and more25 versions - Latest release: about 1 year ago - 2 dependent packages - 4 dependent repositories - 6.88 thousand downloads last month - 399 stars on GitHub - 1 maintainer
membrane-curvature 1.1.1
MDAnalysis tool to calculate membrane curvature from MD simulations.5 versions - Latest release: about 1 year ago - 1 dependent repositories - 304 downloads last month - 31 stars on GitHub - 2 maintainers
macchiato 0.1.1
Data-driven nearest neighbor models for predicting experimental results on silicon lithium-ion ba...2 versions - Latest release: over 1 year ago - 99 downloads last month - 2 stars on GitHub - 1 maintainer
locuaz 0.7.5
Antibody optimization protocol34 versions - Latest release: over 1 year ago - 1.12 thousand downloads last month - 50 stars on GitHub - 1 maintainer
lipyphilic 0.11.0
Analyse MD simulations of lipids with python'18 versions - Latest release: over 1 year ago - 1 dependent repositories - 2.27 thousand downloads last month - 29 stars on GitHub - 1 maintainer
cpctools 0.1.1
A package for analysing molecular systems4 versions - Latest release: over 1 year ago - 1 dependent package - 393 downloads last month - 4 stars on GitHub - 3 maintainers
evodiff 1.1.0
Python package for generation of protein sequences and evolutionary alignments via discrete diffu...15 versions - Latest release: over 1 year ago - 3.1 thousand downloads last month - 576 stars on GitHub - 3 maintainers
molann 1.1.7
"PyTorch Artificial Neural Networks (ANNs) for Molecular Systems",17 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 517 downloads last month - 0 stars on GitHub - 1 maintainer
colvars-finder 0.1.14
Find collective variables (CVs) by training neural networks.13 versions - Latest release: over 1 year ago - 1 dependent repositories - 229 downloads last month - 3 stars on GitHub - 1 maintainer
miko-analyzer 0.3.3
Analyzing tool for deep learning based chemical research.4 versions - Latest release: almost 2 years ago - 165 downloads last month - 1 maintainer
nmrformd 0.1.1
Calculate dipolar NMR relaxation time from molecular dynamics trajectory file9 versions - Latest release: almost 2 years ago - 1 dependent repositories - 255 downloads last month - 22 stars on GitHub - 1 maintainer
mdapackmol-fmt 0.1.4
An MDAnalysis wrapper around Packmol6 versions - Latest release: almost 2 years ago - 1 dependent repositories - 155 downloads last month - 1 maintainer
mdapackmol 0.1.0
An MDAnalysis wrapper around Packmol1 version - Latest release: almost 2 years ago - 84 downloads last month - 1 maintainer
dynetan 2.2.0
A Python implementation for Dynamical Network Analysis.12 versions - Latest release: about 2 years ago - 1 dependent repositories - 444 downloads last month - 13 stars on GitHub - 1 maintainer
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