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Hi all!
This issue can be viewed in isolation / together with the other Issues I've created so far:
Issue #30 : Characterisation of the 2D protein-ligand interaction map
Issue #31 : Making a mole…
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If you want to become a reviewer for ReScience, please post your information here. The format is:
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Hi Jan,
Jason and I have now completed our project for the Energy Modelling Initiative. We used the Workbench extensively, but also added some stuff to it. Looking at our code, we've identified a f…
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It seems that the package is pretty stale. Last commit was in Feb.
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[GROMACS tutorial](http://www.mdtutorials.com/gmx/complex/01_pdb2gmx.html )
[GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design](https://doi.org/10.1021/acs.jcim.2c0004…
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**Submitting author:** @JeanWi (Jan F. Wiegner)
**Repository:** https://github.com/UU-ER/AdOpT-NET0
**Branch with paper.md** (empty if default branch): joss-submission
**Version:** v0.1.2
**Editor:** …
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This issue extracts one discussion from the review of #12 (see [this comment](https://github.com/openENTRANCE/nomenclature/pull/12#issuecomment-604016277)), which needs to have its own dedicated discu…
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Hi everyone,
I followed instructions in the tutorial
https://libatoms.github.io/GAP/gap_fitting_tutorial.html
everything worked fine.
In the last column of the train.xyz file, if I am not wr…
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@mdsumner Final countdown is on. Not sure of your status now. The draft is getting close to submission. We're short on discussion at the moment, but will get some ideas from Thanh. Would value any sug…
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It would be good to compare carbon footprint and energy consumption between skynet mesh networks, and traditional forms of wireless networks.