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I propose that we add a new FEP (free energy perturbation) module, as `dc.fep`.
Introduction
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Free energy perturbation has become an increasingly powerful technique in modern drug di…
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Hi
I have problem to make kepler working properly
Subsystem is EKS-A
OS Ubuntu 20.04
In grafana I see very high non realistic values
root@server3:~/tsis/kepler/kepler# kubectl logs kepler-e…
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## Description
This flow involves addressing the current problems with the sandbox and implementing Sandbox 2.0 with enhanced features. The key activities include:
, but they arose during an optimisation routine and we should probably handle this better. In fact, it ought to complete succesfully (ess…
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# Feature
We want to model a proper space battery SoC charge/discharge curve depending on the provided-power/power consumption in a dt. We can create a simple battery model having typical Lithium io…
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Some quick scribbles - future challenges (in Czech) [poznamky.odt](https://github.com/user-attachments/files/16800482/poznamky.odt)
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Not all labels are tied to their respective input elements, meaning that clicking the label does not focus the input, and as a side effect, does not show the appropriate help text in the side bar.
no…
JL102 updated
2 years ago
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I'm starting to use ambit-tautomer (ambit-tautomers-2.0.0-SNAPSHOT.jar, downloaded today). With `O=C(c1c2cccc1)N([C@H](CCC(N1)=O)C1=O)C2=O` provided in a `.smi` file, I run
`java -jar ambit-tautom…