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us_atrocities.md has been a great resource for me over the last few years, and never fails to get my blood boiling when i read over it.
Anyways, I found an interesting wikipedia article with sever…
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I had a case where I could not solve a small molecule 3D ED structure with shelxt 2018/2, but it solved fine with data from XDS. The cause appears to be because in that [version of sheltx](https://she…
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The populate routines are apparently slow, too. See about speeding them up.
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In preparation for our study on using a genetic algorithm to find good binders for MurC (more on that later), Casper Steinmann (@cstein) has docked 250K molecules from the ZINC database and 10K molecu…
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I hope that this question is allowed on this site.
I am trying to use pot to optimize a gaussian process regressor. As such, I need a custom config:
tpot_config = {
'kernel' : [1.0*RBF(leng…
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Synthetic population pre-processing function is not doing anything. It needs to be removed - https://github.com/SANDAG/ABM/blob/ABM3_develop/src/asim/scripts/resident/resident_preprocessing.py#L155. T…
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I came across your paper titled, "Copula-based transferable models for synthetic population generation" and this accompanying repository, which is relevant to my PhD dissertation topic. I am studying …
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We need to implement the projection for survival models at some point. The actual implementation needs some thinking and is likely to depend on how the survival models are/will be handled in `rstanarm…
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Interested to see how parallelism was performed in code and ran the code through the Intel Inspector using the Intel Compiler. It seems a few things are highlighted as race conditions. Mainly in Set…
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Replicate QGIS steps into python commands for easy "replicate-ability"
- ~Define intersections (this was previously done using LION line intersection to determine point)~
- ~Obtain signalized inte…