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 Post subject: Autodock CUDA?
PostPosted: Sat Sep 01, 2012 4:23 pm 
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Hi everybody.
I have read this article: Porting Autodock to CUDA (http://ieeexplore.ieee.org/xpl/login.js ... er=5586277)
I think, Autodock CUDA is very useful for shortening computational time, especially in high throughput screening.
But is there any way to get the source code? I have spent several days to search but I could not find any link to download.
Thank you very much.


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 Post subject: Re: Autodock CUDA?
PostPosted: Mon Sep 17, 2012 6:36 am 
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Hi Eternity,

I am one of the authors of that paper. We are awaiting copyright registration for the changes that we have made (the original copyrights remain un-disturbed). This one is only for the changes that we did.
Sadly, this process is a bit slow. We are hoping to get this cleared by October 2012.
We have been waiting for close to an year now.
We would be glad to release the source code once this is done.

FYI: We had also ported local search by parallelizing across runs. The software would need some customization so that it can be used as a replacement for Autodock. I hope some1 from the community will do that.

Thanks for your interest,
I will keep this forum posted when we release the source,
Best Regards,
Sarnath


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 Post subject: Re: Autodock CUDA?
PostPosted: Fri Jan 11, 2013 7:42 am 
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We are still awaiting Copyright. We did not expect this to be so painfully slow... but, I hope we will clear this someday.


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 Post subject: Re: Autodock CUDA?
PostPosted: Sat Feb 28, 2015 9:39 am 
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Dear All?
Any good news in registration progress?

Best,

Jrhau


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 Post subject: Re: Autodock CUDA?
PostPosted: Mon Mar 02, 2015 4:58 am 
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Hi,

The registration is in snail's pace and we have no idea whether this will ever get done.
So, we are consulting our legal team (Just started) to see if we can release the sources out. Once, if we get clearance, we will go ahead on this.

Our code has migrated both Global + Local Search on GPU. The results are simply printed on screen (and not in DLG file). The clustering and other parts need to be done. Elitism needs to be implemented. We just hope the community might make it more usable if they find it to be of any use.

I have a list of all enquiries regarding Autodock CUDA + This thread. I will inform everyone (and this thread) when we release the sources.

Thanks,
Best
Sarnath


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 Post subject: Re: Autodock CUDA?
PostPosted: Sat Mar 07, 2015 3:23 am 
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Waiting For Good News Related To Registration Process ......
Do Let Me Know Please :)


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 Post subject: Re: Autodock CUDA?
PostPosted: Fri Mar 20, 2015 1:29 am 
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Hi,

This will happen soon. We are discussing the possibility of releasing it open-source today.
I will post back - if there is any good news.

Please be aware that the final results are just printed on screen and not in DLG file...Elitism is not supported. Clustering is not performed....So, it may take some time for the community to integrate that with the tools-ecosystem. Hopefully, somebody will...

Best,
Sarnath


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