{"action":"created","issue":{"url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/9","repository_url":"https://api.github.com/repos/open-forcefield-group/smarty","labels_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/9/labels{/name}","comments_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/9/comments","events_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/9/events","html_url":"https://github.com/open-forcefield-group/smarty/issues/9","id":161320289,"number":9,"title":"Implement/test normalization for scoring function","user":{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars.githubusercontent.com/u/7132257?v=3","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":2,"created_at":"2016-06-20T23:42:27Z","updated_at":"2016-06-21T03:56:46Z","closed_at":null,"body":"Instead of scoring each new pattern by the number of atoms it is able to match, we want to test what happens by normalizing these so that a new pattern which matches all atoms of a given type results in a score improvement of `1.0` if it matches ALL of the atoms of that type, regardless of whether there are (to use hydrogen as an example in AlkEthOH) `68` or `244` atoms matched.\r\n\r\nWe are fairly convinced this will result in more efficient sampling in some cases, perhaps even with AlkEthOH, and it's certainly something we want to experiment with."},"comment":{"url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/comments/227334490","html_url":"https://github.com/open-forcefield-group/smarty/issues/9#issuecomment-227334490","issue_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/9","id":227334490,"user":{"login":"davidlmobley","id":7132257,"avatar_url":"https://avatars.githubusercontent.com/u/7132257?v=3","gravatar_id":"","url":"https://api.github.com/users/davidlmobley","html_url":"https://github.com/davidlmobley","followers_url":"https://api.github.com/users/davidlmobley/followers","following_url":"https://api.github.com/users/davidlmobley/following{/other_user}","gists_url":"https://api.github.com/users/davidlmobley/gists{/gist_id}","starred_url":"https://api.github.com/users/davidlmobley/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/davidlmobley/subscriptions","organizations_url":"https://api.github.com/users/davidlmobley/orgs","repos_url":"https://api.github.com/users/davidlmobley/repos","events_url":"https://api.github.com/users/davidlmobley/events{/privacy}","received_events_url":"https://api.github.com/users/davidlmobley/received_events","type":"User","site_admin":false},"created_at":"2016-06-21T03:56:46Z","updated_at":"2016-06-21T03:56:46Z","body":"I think our first priority is to resolve #8 and then see how we can do. We hope to explore how things like this would impact efficiency after doing so.\r\n\r\nI agree that it could be dangerous, though Chris is also fairly convinced it will be necessary. I guess we'll see.\r\n\r\nI should note that right now we get stuck, even on the simple AlkEthOH, at about 81% coverage, it seems. So, right now we're not finding enough complexity. :) "}}
{"actor":{"display_login":"davidlmobley"}}