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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

pKa challenge #14

Closed MehtapIsik closed 6 years ago

MehtapIsik commented 6 years ago

pKa challenge input files, submission template files and instructions are ready for starting the challenge. Only missing part is adding example submission files. Those we can supply at a later time.

davidlmobley commented 6 years ago

@bannanc - If you have a chance can you look over this too? (But maybe you've seen it already.) I'll be trying to review tonight.

bannanc commented 6 years ago

@bannanc - If you have a chance can you look over this too? (But maybe you've seen it already.) I'll be trying to review tonight.

@davidlmobley and @MehtapIsik I added quite a few comments. Most of them are just grammatical suggestions. There are a few clarifying questions I had.

MehtapIsik commented 6 years ago

This PR is ready for merge.

davidlmobley commented 6 years ago

Thanks, @MehtapIsik .