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```cm.fit_transform([[['Br'], [[0, 0, 0]]]])```
=>
```KeyError: 'Br'```
I guess there's a lookup table for charges somewhere, and Br and potentially other atoms are missing from it?
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**when i use this model to predict molecular melting point,i met some questions that i can not solve **
when i run this code:
loader = dc.data.CSVLoader(
tasks=["mtp"], smiles_field="smiles",…
luwry updated
4 years ago
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Rebecca Foulger created issue - 09-Dec-13 08:23
Rebecca Foulger added a comment - 09-Dec-13 08:27
Most XPs are in gene_ontology_write.obo (for ChEBI ligands) or in x-mf-protein.obo for protein ligand…
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Posting random ideas if we choose not to stick with `Topology` and `subtopology`
* Model/SubModel - in theory, this data structure includes all the information for how you want to model your system. …
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I think there is currently an assumption that these were equivalent:
* `R domain C`
* `C slot R`
This is my fault for not being more explicit in the metamodel.
The actual intent was that i…
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I have a new parameter that needs to go into the next update to the parameter file.
This parameter is a switch that will turn cohort age tracking on (1) or off (0).
https://github.com/JessicaNee…
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**Submitting author:** @apcamargo (Antonio P Camargo)
**Repository:** https://github.com/apcamargo/tspex
**Version:** v0.6.2
**Editor:** Pending
**Reviewer:** Pending
**Managing EiC:** Arfon Smith
**…
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This Github issue is synchronized with Zendesk:
**Ticket ID:** [#32673](https://scicrunch.zendesk.com/agent/tickets/32673)
**Group:** Support
**Requester:** apilkocuration@gmail.com
**Issue escalated…
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Dear Todd,
Sorry to spam you here. I couldn't get any email from you in google.
I’m interested to have the Roundup database to get access to the phylogenetic profiles; however, the provided we…