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Hi @Voutsi @moralejo @rlopezcoto
As discussed today in LST1+MAGIC call we will need some electron productions for the MC test set.
I propose that we generate one low zenith node and the mid zenith …
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**Summary**
Provide a new node type that allows execution of snakemake rules. pyiron/ironflow would provide a thin interface to make snakemake rules appearing as native pyiron objects.
**Detaile…
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Hello
For the purpose of comparison,, I have to train large number of configurations (for example 20000 configurations 40*20000 atomic environments) with GAP and SOAP fingerprint. I get the below err…
bpfrd updated
4 years ago
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In alchemical free energy calculations, we often need to define torsions and angles in a way that may introduce numerical instabilities (eg. morphing into nitriles, ring opening/closing, etc.). Typica…
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The STT Vosk model works well but it is surely not optimal for all languages, it would be nice to have the choice between several STTs in the application such as Coqui-ai etc.
It would be an idea to p…
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**Is your feature request related to a problem? Please describe.**
When trying to get this to work with the Stars Without Number: Revised system [here](https://github.com/wintersleepAI/foundry-swnr…
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We need the ability to create OpenMM `System` objects with context parameters that allow us to perform relative free energy calculations between two `System` endpoints.
We presume that the user start…
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# Contribute content
## Contributor/requester
> Contact information about the person contributing/requesting the data. Used for communication purposes.
**Name**: Josh Vita
**Email**: vita…
jvita updated
11 months ago
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Hi!
I'am trying to make rifgen work in a docker. I have this error like it does not use the rifgen.flag file. Rifgen has been compile with gcc5 and is using rosetta_src_2018.09.60072_bundle in a ub…
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Hi, we're seeing HDF errors when trying to load Perses simulations with `openmmtools` 0.23.0 (from `conda`) or 0.23.1 (from `pip install` this repo).
I think it is very similar to https://github.c…