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Hello!
I am currently working on a version of Tissue Forge installed with GPU-acceleration (tf.has_cuda = 1), however, data usage shows that GPU usage is at 0% while a simulation is running. I have t…
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The following finds no matches:
m = Chem.MolFromSmiles('C1P->[Zr+3][Zr+3][Zr+3]’))
m = Chem.MolFromSmiles('C1P-[Zr+3]-1')
m.GetSubstructMatches(Chem.MolFromSmarts('C1P-[Zr+3]-1’))
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```c++
#include
#include
#include
#include
#include
#include
#include "geometry.hpp"
using namespace xdiag;
const int N_SITES = 7;
/* Set up the spins in opposing pyramids:…
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# Neo token Euro Bonds
European Investment Office to issue Bonds to acquire 10% of an Exchange startup platform
# Proposal Information
## Description
A European Investment office decided to …
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When using certain content, I am experiencing a rendering issue with the `mathpix-markdown-it` library. While simple expressions render correctly, more complex expressions fail to display as expected.…
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It would be great if Ketcher supported [dative bonds](https://www.rdkit.org/docs/RDKit_Book.html#dative-bonds). We could either try to add this functionality ourselves or find another editor that alre…
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![image](https://github.com/user-attachments/assets/2899be7f-e206-4b73-9873-35dad84a0d65)
I have run this code using the single-chain CG polymer dataset and encountered some issues.
1. It seems that…
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Hi,
Is there an easy way to represent a bermudan style callable bond in ORE v.10?
A callable swap is possible as a deal with a non-call swap and a swaption with bermudan style.
Also a vanilla bon…
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I'm working on adding "1800" to the game list.
One of the features it uses is bonds. This seems to be different from the bonds of the 1830 "bonds" variant at http://www.fernuni-hagen.de/FTB/dc/docu/1…
Hawke updated
7 years ago
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There is no possibility to encode with SMILES E/Z stereochemistry of a double bond, if one of its atoms forms a dative bond:
```python
from rdkit import Chem
print(Chem.rdBase.rdkitVersion)
> 20…