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**Please describe the use case that requires this feature.**
This could help in event reconstruction through Random Forests (and in optimizing reconstruction algorithms)
**Describe the solution yo…
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We're interested in enhancing the ML/MM method by including intermolecular interactions between the ML and MM regions of the system. There is some discussion on the slack channel for this about which …
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Thanks for the amazing tutorial! It is very helpful!
I wonder why in most OpenMM protocols the temperature is directly set to the production temperature? In comparison, most Amber tutorials have an…
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Hi,
Could you please advise when you'll be publishing the first release?
Thank you.
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With the recent qualification of HELIX (https://osu.ppy.sh/b/1584721&m=1), I wonder if it's finally time to have a look at updating/improving the SR algorithm in osu!taiko.
**A bit of background:*…
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- Collections page:
- Evelyn Blakey & Will Gamble
- Use dummy placeholder (TK: PJF to provide copy and images)
- Kazunori Sugiyama
- Add images (TK: add placeholder and PJF will fill)
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One of my main concerns related to the implementation of Bayesian inference with ITIC is how to implement experimental data. ITIC works well when comparing to REFPROP because we can evaluate REFPROP p…
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Hello,
I am asking if it is expected to get different results from YANK absolute-binding energy modules from running the same complex/options/YANK version at two different clusters. I totally underst…
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This will replace the old `systembuilder.py` to enable things such as FFXML, Smirks, and other features.
This is a broad topic and multiple other issues will spawn from it, but this is the general…
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In this issue, [comment with `@njzjz-bot `](https://github.com/njzjz/wenxian/issues/23#issuecomment-2121998880):
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@njzjz-bot 2312.15492
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njzjz updated
4 months ago