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### Model Name
REINVENT 4 Mol2MolScaffold
### Model Description
Mol2MolScaffold uses REINVENT4's mol2mol_scaffold.prior and mol2mol_scaffold_generic.prior to generate around 500 new molecules simil…
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### Model Name
REINVENT 4 Mol2MolMediumSimilarity
### Model Description
The Mol2MolMediumSimilarity model is one of the models within REINVENT 4 used to find new molecules similar to the prov…
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Summary of request: Add a new organization to ROR
Add record:
Name of organization: Non-Communicable Diseases Research Center*en
Website: https://ncdrc.tums.ac.ir
Domains: ncdrc.tums.ac.ir
Link…
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@sgbaird I was final able to find time this weekend to assemble my kit and now I'm working on the micropython. I had to follow the instruction [here](https://www.raspberrypi.com/documentation/microco…
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Summary of request: Add a new organization to ROR
Add record:
Name of organization: Enveloppes Fluides : de la Ville à l’Exobiologie*fr
Website: http://osu-efluve.u-pec.fr
Domains:
Link to pub…
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Here I have described the current strategy regarding the retained diamine cores from the de-novo generated compounds since deprioritising the N-oxide series from which these cores originated.
- P…
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Hello QUIP package managers,
I am using the tutorial found in the following deepnote jupyter notebook to train GAP to a flinak molten salt. Everything is working well with the exception that when I…
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Details for the issue
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#### What did you do?
I try to run [minexample.py](https://drive.google.com/file/d/1MtiwwxbZAC1z-0l001r0LU3uMgEf3Q3z/view?usp=drive_link) script with …
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### Summary
Currently, the REINVENT 4 Mol2MolSimilarity model generates new molecules with a similar 2D structure but not necessarily a similar 3D structure. Our goal is to train the REINVENT 4 Mol2M…
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Hi, today I run AutoDock-GPU and I got this error:
```
*** buffer overflow detected ***: terminated
Aborted (core dumped)
```
Here is the command I used to run AutoDock-GPU:
`~/AutoDock-GPU/…