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I have been following the instruction in the README in order to install RDKit on MacOS Catalina (10.15.7) with Homebrew 3.1.8. I have Python 3.9.4.
`brew tap rdkit/rdkit` worked normally, but `brew i…
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**Configuration:**
- RDKit Version: 2020.03.1
- Operating system: macOS 10.14
- Python version (if relevant): 3.7.5
- Are you using conda? Yes
- If you are using conda, which channel d…
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Benchmarking Tests (open to additions)
- How many ROs successfully projected onto one molecule vs two molecules
- How many ROs are throwing exceptions when projected??
- After implementing mass d…
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## User Story
>As a
>I want
>So that
@ScottBGI says:
Don't know if you've come across snorkel, but if one of the main downstream use cases for a lot of the imaging (medical and camera tra…
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After building git master manually on OpenSUSE Linux using `cmake -DPYTHON_EXECUTABLE=/usr/bin/python3.6 ..`
```
ralf@ark:~/rdkit> cat t.py
from rdkit import Chem
ralf@ark:~/rdkit> python3 t.…
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Currently, when a double bond has "Either" bond direction, it is depicted as a "crossed" bond:
Chem.MolFromMolBlock(Chem.MolToMolBlock(Chem.MolFromSmiles('CC=CO')))
However, the IUPAC …
d-b-w updated
3 years ago
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Here's the reproducible:
```
In [3]: m = Chem.MolFromSmarts('C-[N,O]')
...: d2d = Draw.MolDraw2DSVG(250,200)
...: d2d.DrawMolecule(m)
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# Welcome to the Gene Ontology!
## Name:
Gregory J. Tawa
## Please *very* briefly describe your relation to the GO:
I work at NIH/NCATA with genomics data. Need an easy way to interpret go ann…
gtay2 updated
3 years ago