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_Originally posted by @tucotuco in https://github.com/tdwg/material-sample/issues/6#issuecomment-903191602_
> An occurrenceID is meant to be, ideally, a resolvable (IRI that returns metadata when r…
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ChEMBL 28 is now live. Can we:
- [x] Download the new ES dump
- [x] Compare the schema with ChEMBL 27 and report differences (or any other similar strategy)
We want to anticipate any unexpected…
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Hi,
I recently happened to come across the [vulnerability](https://github.com/ossf/wg-vulnerability-disclosures/blob/main/src/schema/vulnerability.schema.json) JSON schema in this repo that is supp…
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Do you have an address to use the document?
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It looks like I was late to comment on #616 so I figured I'd open a new issue to say that I disagree with the "operators"/"representations" dichotomy. At the very least, the naming is quite confusing,…
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## Issue Description
It occurs to me that the classes in LibChemist are going to serve as the main input classes to many of the modules, hence we'll need to be able to access and manipulate them fr…
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Sometimes clicking locations where one atom is present triggers the click handler for another atom. Other times, clicking an area with no atom present at all will trigger the handler on an atom.
I'…
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Consider the following [protein](https://github.com/michellab/BioSimSpace/files/3353911/protein.txt). This has a single molecule with 13932 atoms and two chains. The BioSimSpace PDB parser can read it…
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# Description
`PELE` has a script to obtain the OBC parameters given a small molecule. This script is quite old though and presents many compatibility problems. Maybe we can incorporate this script i…
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# Description
If we want to load PDB files with no connectivity data (such as those coming from PELE simulations) we need a method to assign the missing connectivity.
# Solution
We can use an `RD…