Ricardo Avila

Improve RMSD function to take molecular symmetry into consideration?

1

Just wondering what the algorithm is behind the RMSD calculation.

Hello, I couldn't find any documentation regarding managing the configuration of the command line interface, and running `cde config list` doesn't return anything on my installation. What are the parameters...

It would be great to have integration with gnome shell's search.

feature: Mark pastes as "favorites"

1

Perhaps it would be a useful feature to "star" or otherwise mark some pastes as favorites to prevent them from being deleted from history.

### Steps to reproduce 1. Click on a data source in the 'Sources' tab, and go to the 'Mapping' section. 2. Click 'Inspect Data' 3. The 'Mapping from inspection' column...

Creating multiple indices for a build (for example, one for elasticsearch 7 and 8) results in only latest index information being displayed in the releases tab of the build information....

Running local webapp tests on elasticsearch8 fails at this line: https://github.com/biothings/biothings.api/blob/052d2b3ae84810f345df86e185ea18e730756e99/biothings/tests/web.py#L292-L294 with the errror: `400 Client Error: Bad Request for url: http://localhost:9200/mychem_test/_doc/_bulk` According to the [ES documentation](https://www.elastic.co/guide/en/elasticsearch/reference/8.1/docs-index_.html#docs-index_ ): > From...

I tried running this query: https://myvariant.info/v1/query?species=human&facets=chrom It fails with: ``` search_phase_execution_exception "Fielddata is disabled on [chrom] in [superhot_hg19_20230505_hozqpqi5_202305251519]. Text fields are not optimised for operations that require per-document field data...

Right now, the NDC plugin is using the `RootKeyMergerStorage` class, to join documents with duplicate `_id` (productndc) values. However, with this method, it seems like a lot of information is...

DataTransform not joining some documents that belong together

1

I have found several documents from aeolus, unii, and ginas that belong together with documents from chembl/pubchem via primary key. For example, http://mychem.info/v1/chem/22T8Z09XAK and http://mychem.info/v1/chem/XNCKCDBPEMSUFA-UHFFFAOYSA-N both refer to the same...