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In the Docker install, the `target/pharmacology/pages` API calls like http://heater.cs.man.ac.uk:3002/target/pharmacology/pages?uri=http%3A%2F%2Fwww.uniprot.org%2Funiprot%2FP30542 fail with:
> **Inte…
stain updated
8 years ago
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ids / names to map
[chembl.csv](https://github.com/user-attachments/files/16757826/chembl.csv)
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Seems large molecules (e.g., CCCCCCCCCCCC[C]1C=CC=CC1CCCCCCCCCCC) still cannot be rendered in molecule search.
![image](https://cloud.githubusercontent.com/assets/2739496/19838908/1c811e2c-9eaf-11e6-8…
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We have 2 different "Cisplatin" entries in Babel/NN.
A main entry: https://nodenormalization-sri.renci.org/1.3/get_normalized_nodes?curie=PUBCHEM.COMPOUND%3A5460033&conflate=true
And then thi…
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There are two (conflicting) licences available:
https://github.com/IUPAC-InChI/InChI_1_06/blob/master/LICENCE.pdf
(which currently does not display correctly but works via download)
![image](https:…
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**Configuration:**
RDKit version: 2020.09.4
Host OS: CentOS 7.4
Docker Container:ubuntu 20.04
Python version : 3.8.5
Are you using conda? No
If you are not using conda: how did yo…
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RAVEN should support writing a [cobrapy](http://cobrapy.readthedocs.io/en/latest/_autogen/cobra.io.yaml.html)-compatible yaml format, as this format is very concise.
- [x] make `writeYaml` function…
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I successfully built RDKit using the instructions in [this repo's README](https://github.com/ntBre/rdkit-rs?tab=readme-ov-file#obtaining-rdkit):
```
git clone --depth 1 https://github.com/rdkit/rd…
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Hi,
I am tyring to install rdkit version 2023.03.01 from source on ubuntu 22.04. However, after running:
```
cd rdkit-Release_2023_03_1
mkdir build
cd build
cmake -DPy_ENABLE_SHARED=1 \
…
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Ok, complicated issue incoming:
I have 2 database servers (A and B [note to myself: A = remote, B = local) with the same schema, but because of "I do not really know why" (versions blabla) the sche…