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Two compounds have been assigned the code OSM-S-220.
http://malaria.ourexperiment.org/osm_procedures/9966/Preparation_of_OSMS220.html
http://malaria.ourexperiment.org/osm_procedures/10006/Preparatio…
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The code
```
toolkit_wrapper = RDKitToolkitWrapper()
rdmol = molecule.to_rdkit()
molecule_copy = Molecule(rdmol)
mol_smi = molecule.to_smiles(toolkit_registry=toolkit_wrapper)
mol_copy_smi = mo…
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- [x] This is a feature request
## Environment Information
Open Babel version: 3.1.0
Operating system and version: Linux Debian 10
## Expected Behavior
I would like to suggest the `id…
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## Environment Information
Open Babel version: Open Babel 3.1.1
Operating system and version: Windows 11
## Expected Behavior
I'm just trying to convert a SMILES string to an .xyz file usi…
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Depending on the files being read into blender to instantiate a Molecule object, various atom attributes are likely to be missing that the MN Molecule object is expecting to have. For example, most if…
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### Series 4 progress
During trimester 2, 2017, six Griffith University undergraduate students took on OSM projects for credit towards their degrees. Planning and discussion can be found in these OSM…
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**Is your feature request related to a problem? Please describe.**
Currently both the AT and OE backends only use a single conformer to compute the Wiberg bond orders (WBOs). Should multiple confor…
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Is it possible to use these scripts to rebuild the dataset? I can't seem to find anything actually related to the acquisition and processing of the datasets described in the manuscript.
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Check lists of nice to haves for CDK 3.0 some of these are large sweeping API changes hence v3.0.
- [x] Switch IElement.H etc to int rather than byte (pre-v3.0 possible)
- [x] Move to Java 11 for …
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**Have you checked the [list of proposed rules](https://github.com/Benjamin-Lee/deep-rules/issues?q=is%3Aissue+is%3Aopen+label%3Arule) to see if the rule has already been proposed?**
- [x] Yes
…