pypi.org "coarse-grained" 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
hymd 2.2.0
Massively parallel hybrid particle-field MD15 versions - Latest release: about 3 years ago - 1 dependent repositories - 7 downloads last month - 31 stars on GitHub - 1 maintainer
cgdms 1.0
Differentiable molecular simulation of proteins with a coarse-grained potential4 versions - Latest release: about 5 years ago - 1 dependent repositories - 13 downloads last month - 56 stars on GitHub - 1 maintainer
shapespyer 0.3.0
Python toolkit for generation and equilibration of complex soft matter systems7 versions - Latest release: 24 days ago - 14 downloads last month - 1 stars on gitlab.com - 1 maintainer
smc-lammps 0.2.4
Simulate DNA loop extrusion by SMCs using LAMMPS8 versions - Latest release: 17 days ago - 12 downloads last month - 1 stars on GitHub - 1 maintainer
neurocgmd 1.0.0
Quantum-Classical-CG-ML Cooperative Molecular Dynamics Engine1 version - Latest release: 7 months ago - 122 downloads last month - 1 maintainer
hire2fa 0.1.2
Utility for converting from HiRE coarse grained model to all-atom structures.3 versions - Latest release: 7 months ago - 68 downloads last month - 0 stars on GitHub - 1 maintainer
condensimadapter 1.0.5
An automated workflow for protein condensate simulations, covering the main stages from coarse-gr...11 versions - Latest release: 4 months ago - 41 downloads last month - 4 stars on GitHub - 1 maintainer
zelll 0.5.0
Python bindings for zelll.4 versions - Latest release: 7 months ago - 1.68 thousand downloads last month - 4 stars on GitHub - 1 maintainer
cgsmiles 1.0.2
Coarse-Grained SMILES (CGsmiles) A Versatile Line Notation for Molecular Representations Across M...3 versions - Latest release: 6 months ago - 509 downloads last month - 18 stars on GitHub - 1 maintainer
afmcg 1.0.1
Anisotropic coarse-graining of atomistic dynamical simulations using force-matching1 version - Latest release: almost 3 years ago - 38 downloads last month - 0 stars on GitHub - 1 maintainer
coby 1.0.15
Build coarse-grained molecular systems29 versions - Latest release: about 2 months ago - 718 downloads last month - 52 stars on GitHub - 1 maintainer
Related Keywords
molecular-dynamics
5
simulation
4
coarse-grained-molecular-dynamics
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force-field
2
protein
2
molecular
2
dynamics
2
coarse-grain
2
python3
1
python
1
post-simulation analysis
1
post-simulation analyses
1
post-processing
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physical-chemistry
1
organic molecule
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numerical simulation
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multiscale modeling
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sans
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multiscale
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molecular structures
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molecular modeling
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molecular dynamics
1
molecular arrangement
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molecular aggregates
1
library
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gitlab
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git
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full-atom
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full atom
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free software
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framework
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equilibration
1
condensed matter
1
swarm-cg
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optimization-tools
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molecular-modeling
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coarse-graining
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cg-model
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bonded-terms
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bonded-parameters
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force field
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optimization
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molecular model
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gromacs
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workflow automation
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workflow
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template
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software development
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soft matter
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smiles strings
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smiles notation
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simulation-framework
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shapespyer
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shapes
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shape
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self-assembly
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self-aggregation
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script
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sas
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pdb
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all-atom
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RNA
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HiRE
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openmm
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condensate
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back-mapping
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protein-simulation
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machine-learning
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quantum-mechanics
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loop-extrusion
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dna
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loop extrusion
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Structural Maintance of Chromosomes
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Molecular Dynamics
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LAMMPS
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DNA
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automatic-differentiation
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potential
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notation
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line
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graphs
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bigsmiles
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smiles
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cell-lists
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biomolecular simulation
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biomolecular
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bash
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automation
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atomisitc
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Sample
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SAXS
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Modelling and Simulations
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Mesoscale
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Data Structures
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Colloidal Self-Assembly
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Biochemistry
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Atomistic simulations
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3D
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physics
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hybrid-particle-field
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