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Please check that the model is working and refactor it model to the latest eos-template structure.
The workflows have already been updated, you can start by checking if the Actions have run successful…
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We need to figure out how we're going to submit calculations for SPICE 2. For version 1 we used the https://github.com/openforcefield/qca-dataset-submission repository. It uses github automation, so…
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In a bunch of spectra we are getting a validation error about mismatching SPLASH. The For example:
```
08:11:46.105 ERROR massbank.cli.Validator - SPLASH from record file does not match SPLASH calcu…
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Lots of errors like this
```
/obo/DRON_00028160","http://purl.obolibrary.org/obo/DRON
original error: Tried to read a field larger than buffer size 4194304. A common cause of this is that a fie…
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Hi, we got a report from @AlasdairGray that:
> In preparation for the BioHackathon next week, we have been harvesting data from as many sites as possible. Whilst harvesting the pages from MassBank,…
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### Week 1 - Get to know the community
- [x] Join the communication channels
- [x] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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General area which your question is related to.
- [ ] Installation of RMG
- [ ] Running an RMG job
- [ ] Using RMG API
- [ ] Arkane (formerly CanTherm)
- [ ] Dependencies
- [ ] An error me…
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**Describe the feature:**
If the value of a field is stored as a string having newlines in Elasticsearch, the feature may enable the user to display the string which parses "\n" as a newline in the s…
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Job crashed with the following error message:
`pydas.daspk.DASPKError: DASPK returned with an IDID = -6, Repeated error test failures occurred on the last attempted step in DDASPK. A singularity in t…
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Downloaded the GUI + CLI version of SIRIUS recently, but whenever I run the CLI .exe file, it reads "You run SIRIUS in 'GUI' mode".
How do I get it to run in 'CLI' mode?