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In order to compute the contacts between the protein and ligand, I wanted to select just the heavy atoms i.e. avoiding any hydrogen atoms. I was wondering since the MDAnalysis selection criteria and t…
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As one can see for the following Item, Senior Theses Items imported from submissions for certificate programs are members of multiple collections, one being the departmental collection, the other bein…
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The FDC wire efficiency as a function of the DOCA of the track has a dip at the cell boundary in data (black), which can be a result of the inhomogeneous drift field or merely an effect of the uncerta…
aaust updated
3 years ago
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**Submitting author:** @diehlpk (Patrick Diehl)
**Repository:** https://github.com/nonlocalmodels/NLMech
**Version:** v0.1.0
**Editor:** @Kevin-Mattheus-Moerman
**Reviewer:** @vijaysm, @chennachaos
*…
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I'm not sure how to choose the values for the `rw.sd` argument in the `mif2` function. My understanding is that this choice might affect the performance of the iterative filtering and while I can choo…
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Hello,
I download the provided ckpt files and use `python test.py --img-size 736 --conf_thres 0.001` for reproducing results, but I got different AP and AP50 when compare with the table in readme.
…
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Below are the steps that we need to follow to use our analysis/plotting ecosystem with results generated by **switc**:
- [x] Read output pickle file (see *BreakthroughEnergySciences/Project/Expansion…
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Recently, Kathryn Krycka has shown that a) there is a significant difference between NIST's IGOR macros resolution smearing and !SasView. b) the !SasView result seem very odd. This seems particularl…
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I propose to have a function, similar to to the `jitter` transform, which moves circle glyphs in a one-dimensional scatter plot so that they do not overlap.
Example:
![bokeh_plot](https://user-ima…
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## Issue Description
It occurs to me that the classes in LibChemist are going to serve as the main input classes to many of the modules, hence we'll need to be able to access and manipulate them fr…