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Hello,
I like the Honegumi philosophy and decided to try and reproduce the results from the tutorial **Multi Objective Optimization of Polymers for Strength and Biodegradability** using the Google …
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From @jchodera on slack:
> Was there any consideration of a more complex hierarchical organization aside from atoms/residues/chains? Some representation of independent molecules might be nice (since …
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When selecting a molecule in the attached cif file I don't get the complete molecule. It works for other structures I have tried. I'm not sure what the issue is - but I haven't thought about it too ha…
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**Purpose**
Centralize discussion for one of the industrial processes that heavily rely on liquid based crafting and machine inputs on the tech side of the pack - rubber, plastics, glasses, and polym…
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My colleague Oliver and I are using the ChEBI database as a structure
repository for the Microme project. I hope that you don't mind if we
would send you reports about some problems that we encounte…
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https://www.bfr.bund.de/en/bfr_recommendations_on_food_contact_materials-308503.html
Download PDFs and extract documents from the BfR recommentations on food contact materials, originally found in …
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Hi,
When I tried to run the program with my polymers, the program gives out the error "TypeError: center() got an unexpected keyword argument 'pbc'".
How can I solve the problem?
Thank you.
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## Feature request
Requires valid distance metrics for crystal structures and polymers that encode chemo-structural novelty and polymeric novelty, respectively as well as structure-based regressi…