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**Describe the bug**
Reading in a V3000 file, single bonds with CFG=2 (stereo either) lose that information. The bond is neither drawn wavy nor output to a new mol block as CFG2
**To Reproduce*…
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**Is your feature request related to a problem? Please describe.**
One "repair" I have in mind: I read a .sdf file; rdkit crashes because an N has valence 4 (instead of 3).
I think, crashing is a …
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**Describe the bug**
Chem.MolToSmiles(mol, **rootedAtAtom**=pos)
when the parameter **rootedAtAtom** is greater than or equal to 20, the range error is reported.
**To Reproduce**
mol = Chem.Mo…
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Depiction of undefined stereochemistry e.g. crossed bonds or squiggly lines would be great.
As discussed here with @DavidACosgrove :
https://sourceforge.net/p/rdkit/mailman/message/37132591/
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System specs:
Ubuntu 20.04,
Python 3.7
rdkit latest from conda.
The code is as follows:
```
results = Draw.MolsToGridImage(
self.hits[:k + 1], molsPerRow=2, subImgSize=…
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A proposal for additional supported representation with MIME types
```
JSON: application/json
JSONP: application/x-javascript
```
As JavaScript/JSON are the primary tools used in web development, s…
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**Description of bug**
The cycle_basis without root parameter has a problem with a graph in the shape of the following molecule: https://pubchem.ncbi.nlm.nih.gov/compound/149096
With root, the resul…
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https://www.benevolent.com/guacamol
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Hi,
Recently, I tried modifying the `dap strategy` of reinforcement learning provided in REINVENT. I want the model to undergo reinforcement learning training on some externally provided SMILES and…
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### Summary
At the moment, `ersilia info` prints redundant information JSON format. By default, we should see a nicer print in the terminal. An option `--as_json` could be added to keep the JSON func…