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When a post request is made to the API services, can we loop through the structures and fill in the following fields from the SDF properties/structure details and respond back with the following JSON …
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Dataset is glycan_sequences_inchi.csv (GLY_000289)
Linked to #95
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https://pubchem.ncbi.nlm.nih.gov/compound/N-Acetylthreonine
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I find that it would takes up to 30s to run just `import dpdata` on the login node of HPC. I did some investigation myself and find that it would load almost all the modules into memory when importi…
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Hi , it seems like you back-calculate some metadata (chemical classes, InChIKey, InChIKey-Planar) from the user input (SMILES only?) of a given spectrum ID, which is really nice!
However, it looks li…
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### Summary
The Ersilia Model Hub features several hERG models. We'd like to compare its performances using an unbiased dataset obtained from the literature
### Scope
Batch 🐕
### Objective(s)
- B…
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Within the curation tool, an entity that is grounded, then subsequently re-grounded appears to retain some of the attributes of the former. This is most noticeable when the subsequent groundings switc…
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Hi we have noticed that the inchi for CHEBI:2719 & CHEBI:131170 are the same - do they refer to the same entity or is there suppose to be a difference between them? If they are suppose to be separate …
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Buna ziua,
Imi cer scuze ca deschid un nou subiect aici, dar l-ai inchis celalalt si nu am apucat sa-ti dau un reply.
DIn pacate, cu prestashop 1.7.8.8 nu functioneaza metodele spuse de tine.
Insta…
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The actual git clone and compile instructions are identical to the ones given for Debian in the main manual - what differs however is the packages.
This is for a "vanilla" freshly installed 64Bit Ope…