SimEA-ERA
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CNN-BackMap-CG
CNN-BackMap-CG PublicA CNN approach for re-inserting atomistic detail to CG configurations
Jupyter Notebook 4
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md_pipeline
md_pipeline PublicThis library supports multiple stages of MD simulations, from system creation to analysis of GROMACS and LAMMPS trajectories. It offers extensive analysis tools, particularly for polymers in confin…
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Repositories
- md_pipeline Public
This library supports multiple stages of MD simulations, from system creation to analysis of GROMACS and LAMMPS trajectories. It offers extensive analysis tools, particularly for polymers in confined systems, tools for functionalizing silica substrates, and functions for merging systems and adding small molecules to bulk liquids.
SimEA-ERA/md_pipeline’s past year of commit activity - DeepNANOMEC Public
SimEA-ERA/DeepNANOMEC’s past year of commit activity - Active-Learning-Package Public
SimEA-ERA/Active-Learning-Package’s past year of commit activity - FFDevelopment Public
SimEA-ERA/FFDevelopment’s past year of commit activity - MD_analysisTools Public
A python module to analyze molecular trajectories. Can read gromacs and lammpss topologies and trajectories
SimEA-ERA/MD_analysisTools’s past year of commit activity - PLA-BackMap-CG Public
SimEA-ERA/PLA-BackMap-CG’s past year of commit activity - Github-Demo Public
SimEA-ERA/Github-Demo’s past year of commit activity
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