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Hi, I want to have a python tree object of the ubergraph. What would be the recommended way to get there?
I have a solution, but it is very unsatisfying:
1. Using the ["https://ubergraph.apps.renc…
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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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A useful command in ChemDraw is the "Copy As" submenu, with "SMILES" and "InChI" as options.
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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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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?
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Within the iOMEGA project I had do the following a few times:
- Overwrite and/or complete spectrum metadata based on a metadata collection I got (as a json file).
- Export my cleaned-up metadata as…
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There is an invalid character in master_compound_db.qs, in the kegg_id column.
```
Browse[4]> cmpd.db cmpd.db[6384,]
hmdb_id name pubchem_id chebi_id kegg_i…
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If the DB is re-factorised any way, we may think about to ditch the accession code restrictions? Of course, we need some conventions such as the first 3 letters or so for the institution. But who care…
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NIST Chemistry WebBook is a reliable source with a lot of information.
I have collected permanent links to elements and put them into a [json file](https://github.com/Eben60/Mendeleev.jl/blob/main…
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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…