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It would be really useful to support calculations with periodic boundary conditions.
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Should we be more liberal with the use of the logger? It seems like a very nice thing to have that isn't being taken advantage of. This is all we have right now:
```
./molproparser.py:467: …
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What is the correct relation between the protein sequence and the amino acide residues?
AlaLeuGlu a idmp-sub:ProteinSequence .
Ala/Leu/Glu a idmp-sub:AminoAcidResidue .
1. AlaLeuGlu cmns-coll:h…
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Came up in a group meeting discussion. Could be a neat idea to try to differentiate with respect to graph weights and see if you can get something like a force by propagating that through a pretrained…
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@liamhuber, as we have just discussed please find below a sketch of the envisioned storage concept. The main idea is to have two databases/stores, one for the nodes, macros, workflows (left side) and …
JNmpi updated
3 months ago
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The gromacs topology supports the so called `[intermolecular_interactions]`
https://manual.gromacs.org/documentation/2019-rc1/reference-manual/topologies/topology-file-formats.html#id35
Which desc…
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### Background
Following Variation Set discussions at the Boston Plenary, it was decided that VR will only provide a model for **static** Variation Sets - as simple objects holding just an enumerated…
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MathJax v3.2.0 does not render the alttext attribute value provided to the MathML object as the default (accessible) aria-label.
I have observed that MathJax v2.7.9 worked in this manner and was a …
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The `BulkObjectsContainer` has proven to be one of the most flexible and broadly applicable elements of our entire framework. However, particularly in naming conventions, it has outgrown its original…
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After checking the list of SNOMEDCT values in https://ehealth.fgov.be/standards/fhir/vaccination/ValueSet-be-vs-vaccine-code.html I had a question on some vaccinations present in SAM2 and the codes to…