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The activity references have been added manually into:
https://github.com/petermr/CEVOpen/blob/master/articleAnalysis/oil186/raw/activity20191028.tsv
For any article there may be 0,1,2,3... activiti…
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![img_20170524_122438_dro-01](https://cloud.githubusercontent.com/assets/259840/26403068/0be5fc60-408d-11e7-8898-4c86e1c4dd5b.jpeg)
![img_20170524_145004-01](https://cloud.githubusercontent.com/ass…
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Introduction
The current pace of technological advancements has the most profound impact on enabling how chemical manufacturers transform themselves to respond to market trends and deliver an entirel…
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I used sirius to predict molecular formulas on 27129 features (till 850 da, 27856 features total)
Zodiac doesn't run because it takes too much memory and SIRIUS crashes (but that is not the problem h…
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Figure out how the Annotations page should look to support other use-cases & upcoming features
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Omitting setting a font is currently not possible in hexapdf:
/root/.gem/gems/hexapdf-0.45.0/lib/hexapdf/content/canvas.rb:2714:in `raise_unless_font_set': Operation only allowed if a font is s…
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Hi,
thank you so much for this work! It is very helpful!
I'm trying to use MFAssignR for MS data assignment acquired on a FT-ICR. When I run the script I can get the MFAssign for CHO, but then I don…
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In the "formula_identifications.tsv" table, molecular formulas are predicted for a total of 5049 compounds. However, only 3319 of these compounds have corresponding structures listed in the "compound_…
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reported by: @CloudyLex
Gives collision data for Mg I, summary of data sources for Mg I and Mg II
We have H0 and e collisions from previous papers by this group in stout
http://adsabs.harvard.edu/…
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> Would love to have Matbench for generative models. @ardunn @txie-93 and anyone else, thoughts? Playing around with the idea of forking `matbench` as `matbench-generative` with visualizations similar…