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Hi all,
This is more of a feasibility question for a new openmm feature.
I have been working on systematic coarse graining using the relative entropy, and one of the things we've found is that c…
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For Nc=12, "cluster": [[2, 2], [-4, 2]], and likely other oblique clusters, the perturbation order is found to increase with the DCA iteration. This is likely because the chemical potential keeps bein…
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Hi, I'm encountering issues related to random field mesh element values being evaluated exclusively at the centroid, where this value isn't representative for larger elements.
I've implemented a so…
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```
add pressure correction update scheme for relative entropy based
coarse-graining similar to that in IBI. Model CG interactions as B-spline +
A(1-r/rcut) and update B-Spline knots with RE and A f…
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```
add pressure correction update scheme for relative entropy based
coarse-graining similar to that in IBI. Model CG interactions as B-spline +
A(1-r/rcut) and update B-Spline knots with RE and A f…
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### Title
LRG: Zooming out the brain scales
### Leaders
Tommaso Gili (X: @tommasogili)
### Collaborators
_No response_
### Brainhack Global 2023 Event
Brainhack Lucca
### Project Description
…
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```
add pressure correction update scheme for relative entropy based
coarse-graining similar to that in IBI. Model CG interactions as B-spline +
A(1-r/rcut) and update B-Spline knots with RE and A f…
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Post questions here for this week's exemplary readings:
3. Klingenstein, Sara, Tim Hitchcock, and Simon Dedeo. 2014. “[The Civilizing Process in London’s Old Bailey](http://www.pnas.org/content/111…
lkcao updated
7 months ago
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So this is kind of inspired by https://groups.google.com/forum/#!topic/mdnalysis-discussion/eqegNLWvHAY and also some other work I did on coarse-graining before.
Wouldn't it be cool if we could do …
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The diffusion map is a dimensionality reduction technique that uses a transitional probability as its "distance" measure. It is noise-resistant and non-linear. Moreover, the algorithm itself is fast a…