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The numbers in the molecule are part of representation for NMR purposes. Number "5" …
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# Background
## What problems do you aim to solve?
Our project is designed to address five core problems each of which is individually designed to serve the mission of a user-owned Internet, while c…
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Dear doctor:
I am trying to write a python program for copolymer PC-SAFT equation of state.
In the article "Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for C…
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Hi, I just installed the latest version of R and have encountered the following issue.
It seems that the `reactable` package is no longer found in the citation table.
``` r
library("reactable")…
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The purpose of this issue is to discuss the future of the jupyter/notebook repository.
**Background:** The classic Jupyter notebook interface is currently maintained by a skeleton crew of develope…
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This is a suggestion, but a user may wish to summarize a number of analyses/results (for example of analytical chemistry methods) in a table. Information that may then be informative would be the univ…
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Hi Rgoslin Team,
some of the GSL classes below do not work for me.
They are listed in the supplement table of your publication:
> Kopczynski, Dominik, Nils Hoffmann, Bing Peng, Gerhard Liebis…
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Hi @aoterodelaroza,
I've written an automated workflow to print cube files with Q-Chem and then analyze them with Critic2, and I've run this workflow on over 25,000 optimized structures that are re…
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### Description
`collab_pls` does not iteratively update the baseline. Also, the docstring for `method_kwargs` is from `v0.7`, right? The `**` does not apply anymore since `method_kwargs` should be a…
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(Suggestion, not entirely sure this is necessary, but the `sampleID` does not seem to identify the type of replicate, if there is more than one replicate)
Add a field either in the `sample` table o…