Title: Processing molecular representations · Issue #6 · qmlcode/tutorial · GitHub
Open Graph Title: Processing molecular representations · Issue #6 · qmlcode/tutorial
X Title: Processing molecular representations · Issue #6 · qmlcode/tutorial
Description: In QML_Tutorial.ipynb, I found two errors. Same training and test data sets are used. In exercise 4, the representations (X_test) do not correspond to the test atomization energies (Y_test), which yields a large mean-absolute-error (MAE)...
Open Graph Description: In QML_Tutorial.ipynb, I found two errors. Same training and test data sets are used. In exercise 4, the representations (X_test) do not correspond to the test atomization energies (Y_test), which ...
X Description: In QML_Tutorial.ipynb, I found two errors. Same training and test data sets are used. In exercise 4, the representations (X_test) do not correspond to the test atomization energies (Y_test), which ...
Opengraph URL: https://github.com/qmlcode/tutorial/issues/6
X: @github
Domain: patch-diff.githubusercontent.com
{"@context":"https://schema.org","@type":"DiscussionForumPosting","headline":"Processing molecular representations","articleBody":"In QML_Tutorial.ipynb, I found two errors.\r\n1. Same training and test data sets are used.\r\n2. In exercise 4, the representations (X_test) do not correspond to the test atomization energies (Y_test), which yields a large mean-absolute-error (MAE).\r\n\r\nTo solve these issues, the following two lines in the fourth cell can be removed:\r\n\\# Run on only a subset of the first 1000 (for speed)\r\nX = X[:1000]","author":{"url":"https://github.com/takafumi-shiraogawa","@type":"Person","name":"takafumi-shiraogawa"},"datePublished":"2023-06-06T08:18:06.000Z","interactionStatistic":{"@type":"InteractionCounter","interactionType":"https://schema.org/CommentAction","userInteractionCount":0},"url":"https://github.com/6/tutorial/issues/6"}| route-pattern | /_view_fragments/issues/show/:user_id/:repository/:id/issue_layout(.:format) |
| route-controller | voltron_issues_fragments |
| route-action | issue_layout |
| fetch-nonce | v2:427f1091-e5d9-f450-802c-6b3193295b93 |
| current-catalog-service-hash | 81bb79d38c15960b92d99bca9288a9108c7a47b18f2423d0f6438c5b7bcd2114 |
| request-id | CB20:9A795:26273E:2F7F7E:697FAFED |
| html-safe-nonce | 2d2eba31fef9e533d286ce8ae635ad85367ee11a991d12f2f406707ca5c708fd |
| visitor-payload | eyJyZWZlcnJlciI6IiIsInJlcXVlc3RfaWQiOiJDQjIwOjlBNzk1OjI2MjczRToyRjdGN0U6Njk3RkFGRUQiLCJ2aXNpdG9yX2lkIjoiODY1NTY1OTY4MzczMTcxNDAyOSIsInJlZ2lvbl9lZGdlIjoiaWFkIiwicmVnaW9uX3JlbmRlciI6ImlhZCJ9 |
| visitor-hmac | 7765409a124b4f0cec6adcefad8d80a3a02dd1ff1ad132d08027d49d313db27d |
| hovercard-subject-tag | issue:1743334733 |
| github-keyboard-shortcuts | repository,issues,copilot |
| google-site-verification | Apib7-x98H0j5cPqHWwSMm6dNU4GmODRoqxLiDzdx9I |
| octolytics-url | https://collector.github.com/github/collect |
| analytics-location | / |
| fb:app_id | 1401488693436528 |
| apple-itunes-app | app-id=1477376905, app-argument=https://github.com/_view_fragments/issues/show/qmlcode/tutorial/6/issue_layout |
| twitter:image | https://opengraph.githubassets.com/ec6f96e02e7896ff97e7bec36ce285352bd2313316a901c3cd7ce1f2ffbacf69/qmlcode/tutorial/issues/6 |
| twitter:card | summary_large_image |
| og:image | https://opengraph.githubassets.com/ec6f96e02e7896ff97e7bec36ce285352bd2313316a901c3cd7ce1f2ffbacf69/qmlcode/tutorial/issues/6 |
| og:image:alt | In QML_Tutorial.ipynb, I found two errors. Same training and test data sets are used. In exercise 4, the representations (X_test) do not correspond to the test atomization energies (Y_test), which ... |
| og:image:width | 1200 |
| og:image:height | 600 |
| og:site_name | GitHub |
| og:type | object |
| og:author:username | takafumi-shiraogawa |
| hostname | github.com |
| expected-hostname | github.com |
| None | 60279d4097367e16897439d16d6bbe4180663db828c666eeed2656988ffe59f6 |
| turbo-cache-control | no-preview |
| go-import | github.com/qmlcode/tutorial git https://github.com/qmlcode/tutorial.git |
| octolytics-dimension-user_id | 27879070 |
| octolytics-dimension-user_login | qmlcode |
| octolytics-dimension-repository_id | 92305268 |
| octolytics-dimension-repository_nwo | qmlcode/tutorial |
| octolytics-dimension-repository_public | true |
| octolytics-dimension-repository_is_fork | false |
| octolytics-dimension-repository_network_root_id | 92305268 |
| octolytics-dimension-repository_network_root_nwo | qmlcode/tutorial |
| turbo-body-classes | logged-out env-production page-responsive |
| disable-turbo | false |
| browser-stats-url | https://api.github.com/_private/browser/stats |
| browser-errors-url | https://api.github.com/_private/browser/errors |
| release | 7c85641c598ad130c74f7bcc27f58575cac69551 |
| ui-target | full |
| theme-color | #1e2327 |
| color-scheme | light dark |
Links:
Viewport: width=device-width