search

samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges
https://samplchallenges.github.io
MIT License
52 stars 32 forks source link

Physical properties #13

Closed Steboss closed 7 years ago

Steboss commented 7 years ago

Hi everbody,

I was wondering if there are any news about the physical properties part of the SAMPL and if they will be released soon. Thank you very much

Stefano

davidlmobley commented 7 years ago

Yes. It's becoming a pKa challenge and we're deferring the logD component. I will either have files up for this this week and send an e-mail (though some notes on it are now in #11 ) OR I will send an e-mail to everyone who is signed up on the D3R SAMPL6 list with an estimate of when files will be up. (Please sign up there!)

cc @MehtapIsik and @jchodera

Steboss commented 7 years ago

All right,

Thanks very much @davidlmobley

davidlmobley commented 7 years ago

Marking as closed