Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "molecular-dynamics-simulation" keyword
mdakit-sasa 0.2.6
This kit allows the calculation of a solvent-accessible-surface area of a trajectory9 versions - Latest release: 5 months ago - 51 downloads last month - 2 stars on GitHub - 1 maintainer
Top 6.0% on pypi.org
45 versions - Latest release: 5 months ago - 2 dependent repositories - 1.86 thousand downloads last month - 1,234 stars on GitHub - 4 maintainers
mdanalysistests 2.7.0
MDAnalysis testsuite45 versions - Latest release: 5 months ago - 2 dependent repositories - 1.86 thousand downloads last month - 1,234 stars on GitHub - 4 maintainers
Top 1.7% on pypi.org
49 versions - Latest release: 5 months ago - 34 dependent packages - 47 dependent repositories - 37.2 thousand downloads last month - 1,234 stars on GitHub - 4 maintainers
mdanalysis 2.7.0
An object-oriented toolkit to analyze molecular dynamics trajectories.49 versions - Latest release: 5 months ago - 34 dependent packages - 47 dependent repositories - 37.2 thousand downloads last month - 1,234 stars on GitHub - 4 maintainers
mdacli 0.1.28
A command line client for MDAnalysis Analysis classes.24 versions - Latest release: 8 months ago - 1 dependent package - 1 dependent repositories - 165 downloads last month - 17 stars on GitHub - 2 maintainers
Top 9.4% on pypi.org
9 versions - Latest release: 7 months ago - 1 dependent package - 1 dependent repositories - 546 downloads last month - 13 stars on GitHub - 3 maintainers
pytng 0.3.1
Minimal Cython wrapper of the TNG trajectory library9 versions - Latest release: 7 months ago - 1 dependent package - 1 dependent repositories - 546 downloads last month - 13 stars on GitHub - 3 maintainers
membrane-curvature 1.1.1
MDAnalysis tool to calculate membrane curvature from MD simulations.5 versions - Latest release: 4 months ago - 1 dependent repositories - 77 downloads last month - 27 stars on GitHub - 2 maintainers
rotamerconvolvemd 1.3.2
Analysis of spin label distances over structural ensembles5 versions - Latest release: almost 4 years ago - 1 dependent repositories - 18 downloads last month - 6 stars on GitHub - 2 maintainers
mdgo 0.2.4
A codebase for MD simulation setup and results analysis.4 versions - Latest release: over 2 years ago - 1 dependent repositories - 33 downloads last month - 18 stars on GitHub - 1 maintainer
qc-iodata 1.0.0a2
Python Input and Output Library for Quantum Chemistry.2 versions - Latest release: almost 3 years ago - 2 dependent packages - 281 downloads last month - 120 stars on GitHub - 2 maintainers
iodata 0.1.3
Python library for reading, writing, and converting computational chemistry file formats and gene...4 versions - Latest release: over 6 years ago - 1 dependent repositories - 46 downloads last month - 120 stars on GitHub - 1 maintainer
pychastic 0.2.1
Solvers for stochastic differential equations6 versions - Latest release: about 1 year ago - 1 dependent repositories - 23 downloads last month - 8 stars on GitHub - 1 maintainer
radonpy-pypi 0.2.9
RadonPy is a Python library to automate physical property calculations for polymer informatics.4 versions - Latest release: 5 months ago - 233 downloads last month - 119 stars on GitHub - 1 maintainer
palmiche 0.0.0a4
A python package for automation of MD simulations1 version - Latest release: over 1 year ago - 11 downloads last month - 0 stars on GitHub - 1 maintainer
transport-tools 0.9.5
a library for massive analyses of internal voids in biomolecules and ligand transport through them6 versions - Latest release: over 1 year ago - 1 dependent repositories - 63 downloads last month - 7 stars on GitHub - 1 maintainer
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: over 1 year ago - 36 downloads last month - 3 stars on GitHub - 1 maintainer
amep 1.0.0
Active Matter Evaluation Package for data analysis of active matter simulations3 versions - Latest release: 2 months ago - 129 downloads last month - 2 stars on GitHub - 1 maintainer
gmx-clusterbyfeatures 0.1.17
Features Based Conformational Clustering of Molecular Dynamics trajectories.18 versions - Latest release: almost 5 years ago - 1 dependent repositories - 480 downloads last month - 4 stars on GitHub - 1 maintainer
mda 0.0.3
Analysis Tools for MD Simulations3 versions - Latest release: over 3 years ago - 1 dependent repositories - 98 downloads last month - 4 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: 3 months ago - 19 downloads last month - 0 stars on GitHub - 1 maintainer
polypy 0.8.2
Molecular Dynamics analysis10 versions - Latest release: over 3 years ago - 1 dependent repositories - 85 downloads last month - 11 stars on GitHub - 1 maintainer
imd-cookie-cutter 1.0.2
A tool for removing atoms in IMD config files, just like a cookie cutter in higher dimensions.3 versions - Latest release: over 3 years ago - 1 dependent repositories - 35 downloads last month - 0 stars on GitHub - 1 maintainer
porefinding 0.0.3
PoreFinding package based on HOLE and MDAnalysis3 versions - Latest release: 5 months ago - 20 downloads last month - 17 stars on GitHub - 1 maintainer
porefinder 0.0.3
PoreFinding package based on HOLE and MDAnalysis1 version - Latest release: 2 months ago - 12 downloads last month - 17 stars on GitHub - 1 maintainer
emc-pypi 2023.8.2
Python interface for the Enhanced Monte Carlo (EMC) package8 versions - Latest release: 10 months ago - 1 dependent package - 1 dependent repositories - 209 downloads last month - 11 stars on GitHub - 1 maintainer
safep 0.1.3
Tools for Analyzing and Debugging (SA)FEP calculations1 version - Latest release: 2 months ago - 30 downloads last month - 3 stars on GitHub - 1 maintainer
project-raccoon 1.1.0
ProjectRaccoon is a Python tool designed for the generation of PDB (Protein Data Bank) files for ...3 versions - Latest release: 3 months ago - 16 downloads last month - 5 stars on GitHub - 1 maintainer
prolintpy 0.9.7
Automated analyis and visualization of lipid-protein interactions.7 versions - Latest release: almost 2 years ago - 1 dependent repositories - 80 downloads last month - 5 stars on GitHub - 1 maintainer
nnmdkit 0.1.0
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations1 version - Latest release: over 2 years ago - 1 dependent repositories - 15 downloads last month - 10 stars on GitHub - 1 maintainer
mdrun 0.1.5
Submission of MD runs to HPC with PBS1 version - Latest release: over 7 years ago - 1 dependent repositories - 14 downloads last month - 7 stars on GitHub - 1 maintainer
dnamd 2.1.0
To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories13 versions - Latest release: over 5 years ago - 1 dependent repositories - 120 downloads last month - 17 stars on GitHub - 1 maintainer
buildh 1.6.1
Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parame...7 versions - Latest release: over 2 years ago - 1 dependent repositories - 79 downloads last month - 14 stars on GitHub - 3 maintainers
biofilmsimulation 1.0.3
The model applies methods from molecular dynamics (MD) and takes into account different physical ...4 versions - Latest release: over 3 years ago - 56 downloads last month - 10 stars on GitHub - 1 maintainer
waternetworkanalysis 0.4.0
Set of tools for input preparation for conserved water search from MD trajectories (gromacs, ambe...8 versions - Latest release: about 2 months ago - 104 downloads last month - 14 stars on GitHub - 1 maintainer
propkatraj 2.0.0
obtain pKas for titreatable residues from a simulation trajectory5 versions - Latest release: over 1 year ago - 1 dependent repositories - 612 downloads last month - 24 stars on GitHub - 3 maintainers
pmd 1.5.2 removed
Automated generation of LAMMPS data and input files for polymer molecular dynamics simulations30 versions - Latest release: 3 months ago - 1 dependent repositories - 636 downloads last month - 1 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
19
python
11
molecular-simulation
10
computational-chemistry
6
mdanalysis
6
science
6
trajectory-analysis
6
simulation
6
LAMMPS
4
molecular dynamics
4
lammps
4
analysis
4
chemistry
4
simulations
4
biophysics
3
polymer
3
gromacs
3
computational-physics
3
SMILES
3
MDAnalysis
2
computational-biology
2
molecular-modeling
2
data-parsing
2
file-conversion
2
physics
2
file-converter
2
file-format-converter
2
file-format-library
2
file-formats
2
input-output
2
json-schema
2
molecular-electronic-structure
2
molecular-mechanics
2
transport
2
soft-matter
2
quantum-chemistry
2
quantum-chemistry-packages
2
quantum-chemistry-programs
2
lammps-data
2
bioinformatics
2
Molecular Dynamics
2
data-science
2
ion-channel
2
theoretical-chemistry
2
materials-informatics
2
materials-science
2
biochemistry
2
automated-analysis
1
interactive-visualizations
1
lipid-protein-interactions
1
lammps-tool
1
MD
1
job-submission
1
DNA
1
monte-carlo-simulation
1
solid-state-chemistry
1
solid-state-physics
1
atom
1
atoms
1
higher-dimensions
1
imd
1
imd-cookie-cutter
1
EMC
1
Simulation
1
lammps-python-interface
1
monte-carlo
1
smiles-strings
1
free-energy-perturbation
1
safep
1
cheminformatics
1
pdb-files
1
MD Simulation
1
water
1
pandas
1
pka-predictions
1
Polymer
1
Simulations
1
computing
1
computing-framework
1
high-performance-computing
1
informatics
1
lammps-input
1
machine-learning
1
machine-learning-pipelines
1
pypi
1
pypi-package
1
python-library
1
python3
1
Elastic Properties
1
DNA Analysis MD Simulations
1
dna
1
lipds
1
order parameters
1
united atom
1
molecular dynamics simulation
1
lipids
1
order-parameters
1
united-atom
1
biofilm-growth
1
igem-competition
1