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**Describe the bug**
Chirality does not render correctly in Jupyter Notebook with Chem.MolFromSmiles when rdDepictor.SetPreferCoordGen(True)
**To Reproduce**
From Jupyter notebook
```
from rdki…
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Because of the RDKit version 2020.03.3 used in KinFragLib, a warning is showing up
`:219: RuntimeWarning: to-Python converter for boost::shared_ptr already registered; second conversion method ignore…
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**Describe the bug**
The TautomerEnumerator.Canonicalize is creating a tautomer that is moving a double bond from out of a conjugated system further into a ring. This tautomer is not corroborated by …
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**Describe the bug**
Using the isomeric SMILES for this [molecule](https://pubchem.ncbi.nlm.nih.gov/compound/PCSK9-macrocyclic-peptide-inhibitor-MK-0616#section=Isomeric-SMILES), nitrogen(atom 27) ge…
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# RDKit blog - Setting up an RDKit development environment 1
It’s surprisingly straightforward
[https://greglandrum.github.io/rdkit-blog/posts/2023-03-17-setting-up-a-cxx-dev-env2.html](https://greg…
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Hi RDkit team,
I'm trying to perform dihedral scan of a disaccharide phi and psi angle with RDKit and create a conformer for each dihedral angle. I have tried the following code for several organic…
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Let's do an RDKIT based example that shows the process of using SageWorks for rapid prototyping.
References:
- https://www.kaggle.com/code/vladislavkisin/tutorial-ml-in-chemistry-research-rdkit-mo…
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**Configuration:**
- RDKit Version: 2020.03.1
- Operating system: Ubuntu 18.04
- Python version (if relevant): 3.7
- Are you using conda? Yes
- If you are using conda, which channel di…
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Sometimes it is convenient to exchange molecules in JSON format rather than SMILES or `.sdf` files. Fortunately, `rdChem.Mol` JSON is already implemented in `rdkit.Chem.rdMolInterchange.MolsToJSON` a…
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When trying to run this line of code:
`sf.encoder('Cc1ccc(NC(=O)c2ccc(-c3[c]n(Br)ccs[nH]3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1')`
I get this error even though RDKit smiles parser is able to pro…