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Normal config files with context references looks like:
```
module.exports = {
title: 'teaser-list',
context: {
items: [
'@molecules-teaser',
'@molecul…
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with:
* molecule scenario
* terraform alternative stage0 with Rocky Linux as supporting system
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Vulnerable Library - molecule-3.6.1-py3-none-any.whl
Path to dependency file: /requirements.txt
Path to vulnerable library: /requirements.txt
## Vulnerabilities
| CVE | Severity | CVSS | Depe…
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- I am a ELN admin
# Expected Behavior
If one uses Ketcher 2 in order to be able to adjust the font size one would expect to be able to read the Atoms contained in large molecules after saving w…
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Hello, guys. I have used one SMILES "N(CCCCN)C(=O)C(C#N)=Cc1cccn1C" and have converted it to the RDKit standard SMILES of "Cn1cccc1C=C(C#N)C(=O)NCCCCN" using API of Chem.MolFromSmiles() and Chem.MolT…
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So somewhere we are passing an OEGraphMol when we need a three-dimensional OEMol, leading to the following test failure:
```
kyleb@kyleb-DX4870:~$ nosetests gaff2xml -v
Failure: AttributeError ('OEGr…
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I'm interested in using ParaMol for small molecule parameterization. For molecule such as tert-butyl alcohol, the three methyl group should have the same partial charge. I wonder how should one implem…
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Hi all,
I'm just having a first play around with chemiscope so apologies if there is a very simple answer I'm missing. I've currently got the library running through Flask and I'm trying to find a …
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a question concerning the documentation, I am trying to run simulation on charged lj-potential on charged particle (e.g. H3O) with GUI, though the documentation only cover as much as standard lj poten…