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Hi! I'm trying to use SchNet for modeling extended, periodic systems and have two questions regarding the use of SchNetPack in this case:
1. is SchNet size extensible - i.e. if I train on a system…
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As one can see for the following Item, Senior Theses Items imported from submissions for certificate programs are members of multiple collections, one being the departmental collection, the other bein…
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To own the patrolling process (bisq-network/wiki#11), the style guide and adherence to it (bisq-network/wiki#9), etc.
Might be initially owned by @m52go, but should be labeled `help wanted` and pos…
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There is a complex set of questions around how to handle method resolution in the presence of `__numpy_ufunc__`. Currently in master is an extremely complicated set of rules that isn't documented and …
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Sorry if this sounds wonky, but I've found interaction parameters and r's and q's for cation anion interactions with themselves and Dortmund (https://www.sciencedirect.com/science/article/pii/S0378381…
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I tried to simulate a concentrated solution of ions using modified seawater example. To do it I divided the simulation into few steps: 1) equilibration using Weeks-Chandler-Andersen potential (to avoi…
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I have a TSV file training_abstracts.tsv when I use the function:
‘def test1():
with open('F:\\small paper\\ner\\data_file\\training_abstracts.tsv', 'r', encoding='utf-8') as f1:
line =…
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As opponent button to icon-headphones or icon-music.
Some inspirations:
https://www.google.com/search?q=mute+button&hl=en&prmd=imvns&source=lnms&tbm=isch&sa=X&ei=sEbfT-3pEKuP4gSYo-S8Cg&ved=0CEgQ_AUo…
loxal updated
6 years ago
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**Submitting author:** @bjmorgan (Benjamin J. Morgan)
**Repository:** https://github.com/bjmorgan/lattice_mc
**Version:** 1.0.0
**Editor:** @labarba
**Reviewer:** @asmit3
**Author instructions**
Tha…
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As decided in issue #311, Sydney Grammar School Students are attempting to synthesise Daraprim at School. Background below is edited from issue #311
This molecule received a lot of press back in 201…