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## Environment Information
Open Babel version: 3.1.1
Operating system and version: MacOS Ventura 13.6
## Expected Behavior
As per `obabel -Hcml`
"In the absence of hydrogenCount and any exp…
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RDKit embeds structures containing several cyclohexanes dreadfully. The easiest way to avoid this is to prepare the library containing SMILES-geometry data (in terms of BoundMatrix). However, this is …
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Hello, I am currently validating some data from the paper using this project. I have encountered some issues during the reproduction of the case depicted in the attached image. Could you please provid…
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How to use `feature_field` to CSVLoader?
I think there are two ways to use it: either pass a list of fields or a single field as an argument.
Example:
```python3
# method 1
featurizer = dc.fe…
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## 🐛 Bug
Hi, I'm trying to use DMPNNModel along in my pytorch lightning framework. Training using deepchem alone (i.e. using `.fit`) works as expected, but when incorporated into pytorch lightning …
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Hi,
Is this still working for AppMon 7.0?
I tested here and it sounds to hang after selecting the System Profile.
However, with a support archive from 6.5 it works fine.
Also on the [project dem…
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Here are some ideas proposed by website visitors:
- The Twilio Quest thing requires you to buy a phone number, Might want to add that. Also, the Alexa one is outdated.
- Add a checkbox to each item …
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I may be mistaken but isn't this regex to detect smiles from the [Twitter preprocess script](https://nlp.stanford.edu/projects/glove/preprocess-twitter.rb) bugged?
```
.gsub(/#{eyes}#{nose}[)d]+|[…
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JSON format works perfectly. When TSV format is set up in yaml file:
1- there is no complete output in terminal:
2- the output.tsv dumped contains:
- headers: obj_nam | SMILES | c0 | c1 | ymatr…
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Two entries in the [Master List](http://tinyurl.com/MycetomaMols) require representation of relative stereochemistry - they are racemic samples consisting of one molecule and its diastereomer: HPD28_1…