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samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges
https://samplchallenges.github.io
MIT License
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SAMPLing deadline? #31

Closed jmichel80 closed 6 years ago

jmichel80 commented 6 years ago

Dear organisers,

Is there any room to delay our SAMPLing submissions by one week? If not we are going to mis the deadline by a couple of days for this subset of SAMPL6 activities, but should have submission for the rest.

Best wishes,

Julien

davidlmobley commented 6 years ago

Yes! We're expecting to get out an announcement today to this effect. There were delays in getting the automated submission handling in place so we're anticipating delaying all deadlines until next week.

michalispapadourakis commented 6 years ago

Dear organisers,

I have uploaded the data in the challenge for the octa-acids section. It send me a notification that everything was submitted well and evaluation awaits but I cannot see the files in the section . When I tried to submit one file at a time there was a message: "OA_buffer_ModelA_1.txt is missing integer value in filename."

Kind regards,

MIchail

iorga commented 6 years ago

Your file name should be in the form OA-bufferModelA-1.txt, see https://github.com/MobleyLab/SAMPL6/blob/pKa/host_guest_instructions.md#uploading-your-predictions for detailed instructions. I had the same problem at the beginning.

Best regards, Bogdan

michalispapadourakis commented 6 years ago

Thanks for the answer.

Kind regards,

Michail

davidlmobley commented 6 years ago

@jmichel80 - e-mail went out announcing deadline delay.

@iorga - thanks for clarifying that. :)