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gitlab.com topics: simulation-framework

utopia-project/utopia

Utopia is a comprehensive modelling framework for complex adaptive systems.

Last synced at: about 1 month ago - Stars: 10 - Forks: 0

utopia-project/utopya

A versatile simulation runner and manager. `utopya` also serves as the simulation management and evaluation frontend for the [Utopia framework](https://utopia-project.org/).

Last synced at: over 1 year ago - Stars: 7 - Forks: 0

simnavi/shapespyer

The project provides Python tool-chain and shell scripts for molecular simulation workflows: preparation, running and analysing molecular dynamics (MD) simulations of bio- and organic soft condensed matter.

Last synced at: over 1 year ago - Stars: 0 - Forks: 0

Related Keywords
python 3 simulation-framework 3 simulation 2 utopia-project 2 python3 1 post-simulation analysis 1 post-simulation analyses 1 post-processing 1 physical-chemistry 1 organic molecule 1 numerical simulation 1 multiscale modeling 1 multiscale 1 molecular structures 1 molecular modeling 1 molecular dynamics 1 molecular arrangement 1 molecular aggregates 1 library 1 sans 1 sas 1 script 1 self-aggregation 1 self-assembly 1 shape 1 shapes 1 shapespyer 1 smiles notation 1 smiles strings 1 soft matter 1 software development 1 template 1 workflow 1 workflow automation 1 C++ 1 complex systems 1 complex-adaptive-systems 1 hdf5 1 modelling 1 yaml 1 3D 1 Atomistic simulations 1 Biochemistry 1 Colloidal Self-Assembly 1 Data Structures 1 Mesoscale 1 Modelling and Simulations 1 SAXS 1 Sample 1 atomisitc 1 automation 1 bash 1 biomolecular 1 biomolecular simulation 1 coarse-grain 1 coarse-grained 1 condensed matter 1 equilibration 1 framework 1 free software 1 full atom 1 full-atom 1 git 1 gitlab 1