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This is set as a daily task for each student Team Member.
Update the Asana project tasks, and research record.
┆Issue is synchronized with this [Asana task](https://app.asana.com/0/118867524991974/15…
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http://doi.org/10.1007/s11095-016-2029-7
> Over the past decade we have witnessed the increasing sophistication of machine learning algorithms applied in daily use from internet searches, voice recog…
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These issues are based on a science cafe presentation at UM (slides: https://docs.google.com/presentation/d/1Qq6FEqkqEPNFFZgxxLnBpgaMFBWkQnDIXGe7ihhLSnY/edit#slide=id.p4).
The main feedback was that …
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Descriptors might be considered to != fingerprints. Featurizers might be considered a better name.
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http://blogs.sciencemag.org/pipeline/archives/2016/08/31/predicting-new-reactions
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**Today OSM are launching a competition to build a predictive model for the most promising current compound set: Series 4. The competition is based on existing open data, and the winning entry will be…
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In working toward making OpenMM more friendly toward small molecules and nonstandard residues, we've run into some nontrivial difficulties with the representation in `Topology` that relies only on con…
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Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/AndreaRMICL/MWASTools
Confirm the following by editing …
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$ brew install osra
==> Installing osra from mcs07/cheminformatics
==> Installing dependencies for mcs07/cheminformatics/osra: graphicsmagick
==> Installing mcs07/cheminformatics/osra dependency: grap…
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When trying to open file (e.g., xyz) with a lot of atoms (e.g., ~1000, fragment of crystal structure), file opening tends to take forever. I've found that it's caused by perceiving bonds (disappears i…