Posts by biodoc

1) Message boards : News : Scientific publication and news (Message 1110) Posted 29 Sep 2020 by biodoc Post: Congratulations on the publication!
2) Message boards : News : Credits and Gridcoin (Message 604) Posted 24 Feb 2020 by biodoc Post: So when will QCP be whitelisted for GRC??? QCP is performing far better than many BOINC projects, it's time. It seems to me the applications and validation methods are still in active development. Why "release the hounds" now? Clearly it's up to the project admins and scientists whether or not to "whitelist" their project. If they need the extra computational power now, then letting the coiners in is one option.
3) Message boards : Number crunching : Pending Validation (Message 505) Posted 6 Feb 2020 by biodoc Post: The validation process is based on a comparison on results (energy, conformation and so on). The thing is that since we generate new and unknown molecules, we see that the optimized geometry can vary depending on the machine that made the calculation. We need to find the correct parameters to discriminate "similar" results that do correspond to the same chemical object but that are not identical results and false results (cheated ones that can mimic a real result)... Perhaps you've already done this but It might be a good idea to pick 2 or 3 'in-house" computers and run one of your unknown molecules 10 or more times on each computer. The results may help in selecting validation parameters. Also, do any of your molecules have chiral centers or rotatable bonds. If so, multiple valid conformations for the same molecule could be possible.
4) Questions and Answers : Web site : Email address 'xxxxxxxxxxx@yahoo.com' is invalid (Message 337) Posted 9 Dec 2019 by biodoc Post: A team mate of mine is also getting the error of an invalid email address which he uses on all other projects.