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**Student Skills Checklist**
- [x] **Laptop Verification or Cloud Workspace**
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- [x] **VSCode**
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My point is that are different molecules elements on their own or is the individual atom the element? Should we mark up sodium chloride as `NaCl` or `NaCl` or even as text `NaCl`? I asked this same th…
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Some images are cut iwhen the list has many molecules.
Instead of multiple lines for out of view molecules we should have horizontal scrollview
![image](https://user-images.githubusercontent.com/…
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First of all, thank you very much for this amazing package that makes chemistry documentations so much more beautiful!
I have found one little issue when I wanted to use it for myself: It works gr…
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Dear Shankar,
Thank you very much for this incredible software. I have been using it very well for my research for surface adsorption. I am quite new to computational chemistry, so I am not quite sur…
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It's will be great to have an icon for chemistry related stuff, like molecule. Something [like that](http://upload.wikimedia.org/wikipedia/commons/thumb/8/84/Benzoic-acid.svg/100px-Benzoic-acid.svg.pn…
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Hi, I am impressed by your research ideas and achievements. I am a beginner and I have some questions:
1)how to divide fragments for organic molecules, such as heterocyclic compounds? According to th…
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### Model Name
Predict micro-pKa of organic molecules
### Model Description
QupKake is an innovative approach that combines graph neural network (GNN) models with semiempirical quantum mechanical (…
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Jacopo Fregoni, Francisco J. García-Vidal, Johannes Feist
> Polaritonic chemistry exploits strong light-matter coupling between molecules and confined electromagnetic field modes to enable new chem…
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SimSim_Molecular/molecular_tests/test_sp3space.cpp:95:12: error: ‘invsqrt3’ is used uninitialized [-Werror=uninitialized]
95 | double invsqrt3 = 1/invsqrt3;
should be: double invsqrt3 = 1.0/s…