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Dear Developer,
My name is Joaquim Jornet-Somoza (quim), postdoctoral researcher on theoretical and computational chemistry.
I have a set of xyz files (in fact, one file with concatenated xyz blo…
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JabRef 5.0-dev--snapshot--2018-07-12--master--dd9b22911
Linux 4.15.0-29-generic amd64
Java 1.8.0_181
Steps to reproduce:
1. open [BugRep.bib.txt](https://github.com/JabRef/jabref/files/222328…
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In my opinion, there is still not enough focus here. The reason is we have years of meta discussion and chat logs about this, with different levels of discoverability and focus themselves, and we coul…
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I have been trying to compile Vreco_CPMD since last week on Ubuntu18.04 bionic, which is installed on my laptop; but every effort is ended into failure. Up to configure every thing goes well but when …
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https://doi.org/10.1021/acscentsci.7b00405
> A collection of new approaches to building and training neural networks, collectively referred to as deep learning, are attracting attention in theoreti…
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The pH values in the [Manchester Water Chemistry spreadsheet](https://docs.google.com/spreadsheets/d/1NimY1gQFM8eR_wdkM5__nEw3JwEhihmIBHiOqXnBYJ4/edit#gid=0) are in mV, not pH units. How do I convert …
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Describe precisely the difference between returned frames by fit():
`run_info, trajectory, averages = nn.fit()`
Maybe making averages and trajectory optional?
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I've been following recent development of C# as a language and it seems that there is a strong focus on providing the means to write code more efficiently. This is definitely neat. But what about prov…
ilexp updated
5 years ago
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Dear @bioconda/all,
to create the author list of the Bioconda paper, we need your full name and affiliation (include address). I hope to be able to include everybody who is part of the github team, p…
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**Outline**
GU Project 2 will focus on brominating Jasper 3 (#493) and, if time permits, exploring derivatisation of that product:
![lachlan - synthetic plan](https://user-images.githubusercontent…