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Message boards : Number crunching : Help in python code for gpugrid

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Message 41848 - Posted: 19 Sep 2015 | 7:08:03 UTC

We are doing a big move to python in a new software that will sooner or later appear on gpugrid.

https://www.htmd.org/htmd/landing.html

I am wondering if there are people willing to help us on coding on top of just crunching. At the moment the code is Matlab but we are converting it to python, so expect to see the same things but in python.

This is just an expression of interest, then we see how to do it.

gdf

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[CSF] Thomas H.V. DUPONT
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Message 41977 - Posted: 8 Oct 2015 | 12:51:57 UTC - in response to Message 41848.

Hi Gianni,
This article may interest you, I think, unless thou hast already aware :)
Open, Reproducible Computational Chemistry with Python and CUDA
____________
[CSF] Thomas H.V. Dupont
Founder of the team CRUNCHERS SANS FRONTIERES 2.0
www.crunchersansfrontieres

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Message boards : Number crunching : Help in python code for gpugrid

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