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add docs about AiiDAlab integration #10

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kjappelbaum opened this issue Jul 19, 2021 · 8 comments
Open

add docs about AiiDAlab integration #10

kjappelbaum opened this issue Jul 19, 2021 · 8 comments
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@kjappelbaum
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the view responsible for this is https://docs.c6h6.org/docs/eln/tools/science/chemistry/crystal_structures/README

@kjappelbaum kjappelbaum self-assigned this Jul 19, 2021
@kjappelbaum
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@nencypd do you want to help here? I can forward you a pdf that describes some basics. In the same view, there are also other undocumented tools:

  • getting the RCSR code for the net
  • getting basic pore descriptors

@kjappelbaum
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@lpatiny do we want to keep the "tools" level? I do not know if this is really useful? I feel this could also be moved into the "sample" top level

@nencypd
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nencypd commented Jul 19, 2021

Is this for the PXRD prediction tool, right? I'd love if you could send me those

@kjappelbaum
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It is not the PXRD prediction, but more general-purpose ;) But you got the manuscript now :D

@kjappelbaum
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I added some initial sentences but it should be expanded, ideally with some images/gifs

@kjappelbaum
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@nencypd are you involved in the isotherm project with Sasha? If yes, this could be a nice opportunity to write this

@lpatiny
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lpatiny commented Sep 8, 2021

@lpatiny do we want to keep the "tools" level? I do not know if this is really useful? I feel this could also be moved into the "sample" top level

Yes please move forward.

@nencypd
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nencypd commented Sep 8, 2021

@kjappelbaum ok, I will give it a look with him

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