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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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The new HomeAssistant Energy tracking looks like it might work really well with this integration. It would need to expose statistics that can be tracked long-term, as described at https://developers.h…
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Dear Sir,
I am very new in QUIP. When I follow the instruction of Quick start [https://libatoms.github.io/GAP/installation.html] every thing till the end goes fine but when I follow step by step in…
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This would be a nice feature to have for some use cases, e.g., for writing simulation time-steps:
https://stackoverflow.com/questions/46951981/create-and-write-xarray-dataarray-to-netcdf-in-chunks
…
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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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Hi Daniel,
I have been using your rTPC package and I am at the point that I have a model and I am aiming to estimate parameters.
My plot is showing that species B clearly has a higher Eh, and …
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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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The Open Energy Ontology (OEO) is an actively developed domain ontology for the field of energy system modelling. https://github.com/OpenEnergyPlatform/ontology
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We want to revisit the idea of a Showcase for Colouring Cities (as discussed in #644). Adding a new issue to keep it on our radar.
The current suggestion is that we use an existing template to crea…
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Hi Jacopo,
I would like to include MIR and FIR data in the SED modelling. Is this possible with BEAGLE?
Cheers,
Steve