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wllgrnt / protein-networks

Refactored version of my PhD code using a MongoDB backend to store the generated data
GNU General Public License v3.0
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Write a group-move optimiser #12

Open wllgrnt opened 6 years ago

wllgrnt commented 6 years ago

Chris currently uses steepest descent when doing energy minimisation, but with lots of local moves. Want to do group moves, but which groups? -> community detection!

wllgrnt commented 6 years ago

Currently thinking about using Python ASE (Atomic Simulation Environment), following https://arxiv.org/abs/1604.02570 (preconditioning)