pypi.org "coarse-graining" keyword
swarm-cg 1.2.5
Tools for automatic parametrization of bonded terms in coarse-grained molecular models, with resp...24 versions - Latest release: over 5 years ago - 1 dependent repositories - 83 downloads last month - 49 stars on GitHub - 1 maintainer
Top 9.2% on pypi.org
5 versions - Latest release: about 4 years ago - 3 dependent packages - 3 dependent repositories - 7.26 thousand downloads last month - 30 stars on GitHub - 1 maintainer
pygpcca 1.0.4
.. |PyPIdownloads| image:: https://static.pepy.tech/personalized-badge/pygpcca?period=total&units...5 versions - Latest release: about 4 years ago - 3 dependent packages - 3 dependent repositories - 7.26 thousand downloads last month - 30 stars on GitHub - 1 maintainer
amep 1.3.0
Data analysis package for active and soft matter simulations8 versions - Latest release: 8 months ago - 56 downloads last month - 25 stars on GitHub - 2 maintainers
polyply 1.8.0
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymer...14 versions - Latest release: about 1 year ago - 1 dependent repositories - 445 downloads last month - 203 stars on GitHub - 1 maintainer
molscope 0.16.0
A lightweight bridge from molecular structures to descriptors, contact maps, graph-ML inputs, and...16 versions - Latest release: 5 months ago - 109 downloads last month - 14 stars on GitHub - 1 maintainer
wmsm 0.1.0
wMSM, weighted MultiScale Model for multiscale network reconstruction1 version - Latest release: 5 months ago - 8 downloads last month - 0 stars on GitHub - 1 maintainer
wsigm 0.1.0
wSIGM, weighted Scale-Invariant Gravity Model for multiscale network reconstruction1 version - Latest release: 6 months ago - 0 stars on GitHub - 1 maintainer
coarsify 1.0.3
A Python tool for coarse-graining molecular structures4 versions - Latest release: over 1 year ago - 58 downloads last month - 1 stars on GitHub - 1 maintainer
ionerdss 2.2.5
Package for preparing NERDSS inputs and analysing outputs.109 versions - Latest release: about 1 month ago - 713 downloads last month - 5 stars on GitHub - 5 maintainers
chic-lib 0.1.19
Coarse-grainig hybrid and inorganic crystals (CHIC)18 versions - Latest release: almost 2 years ago - 99 downloads last month - 15 stars on GitHub - 1 maintainer
Related Keywords
chemistry
3
pdb
2
visualization
2
molecular-dynamics
2
physics
2
networks
2
molecular dynamics
2
weighted-networks
2
gravity-model
2
reconstruction
2
polymers
1
martini
1
gromos
1
charmm
1
dynamics
1
molecular
1
trajectory-analysis
1
soft-matter
1
scientific-visualization
1
scientific-computing
1
python
1
molecular-dynamics-simulation
1
data-analysis
1
computational-physics
1
brownian-dynamics-simulation
1
brownian-dynamics
1
swarm-cg
1
optimization-tools
1
molecular-modeling
1
coarse-grained
1
cg-model
1
bonded-terms
1
bonded-parameters
1
force field
1
optimization
1
molecular model
1
coarse-grain
1
gromacs
1
md
1
macromolecules
1
hacktoberfest
1
dna
1
carbohydrates
1
atomistic-simulations
1
analysis
1
spectral clustering
1
non-reversible process
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non-equilibrium system
1
non-autonomous process
1
molecular kinetics
1
metastable states
1
cyclic states
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cellular kinetics
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cellular dynamics
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Schur vectors
1
Schur decomposition
1
Markov state modeling
1
Markov state model
1
Generalized Perron Cluster Cluster Analysis
1
GPCCA
1
G-PCCA
1
protein structure
1
active-matter
1
computational physics
1
data analysis
1
soft matter
1
active matter
1
machine learning
1
simulation
1
reaction-diffusion
1
nerdss
1
Analysis Tools
1
Model Setup
1
NERDSS Simulation
1
machine-learning
1
molecular-graphs
1
mmcif
1
xyz
1
molecular-structure
1