coarse-grained topic
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coarse-grained repositories
cgdms
52
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4
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Differentiable molecular simulation of proteins with a coarse-grained potential
ProteinEnsembles.jl
22
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4
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Generate and perturb protein structural ensembles using the ExProSE algorithm
Swarm-CG
42
Stars
10
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Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
Mjolnir
31
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6
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:zap: general purpose coarse-grained molecular dynamics simulation package
HyMD
24
Stars
7
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Massively parallel hybrid particle-field molecular dynamics in Python.
COBY
17
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2
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COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3