Implementing Neural Fingerprint from Duvenaud et al. #7919
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Codecov Report
@@ Coverage Diff @@
## master #7919 +/- ##
==========================================
- Coverage 90.31% 89.62% -0.69%
==========================================
Files 462 463 +1
Lines 27023 27043 +20
==========================================
- Hits 24405 24237 -168
- Misses 2618 2806 +188
... and 32 files with indirect coverage changes 📣 We’re building smart automated test selection to slash your CI/CD build times. Learn more |
for more information, see https://pre-commit.ci
|
@wsad1 I request you to please review the PR. |
|
@wsad1 @EdisonLeeeee I request you to please review the PR. |
akihironitta
reviewed
Sep 3, 2023
There was a problem hiding this comment.
@harshit5674 Thank you for working on this! I will have another look tomorrow :)
EdisonLeeeee
reviewed
Sep 4, 2023
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
rusty1s
approved these changes
Sep 12, 2023
JakubPietrakIntel
pushed a commit
that referenced
this pull request
Sep 27, 2023
Implemented the Neural Fingerprint Model as suggested in the paper "[Convolutional Networks on Graphs for Learning Molecular Fingerprints](https://arxiv.org/pdf/1509.09292.pdf)" and suggested in the issue #6077. Unit test has been added and all tests are passing. --------- Co-authored-by: Harshit Verma <harshit@Harshits-MacBook-Air.local> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Jintang Li <cnljt@outlook.com> Co-authored-by: rusty1s <matthias.fey@tu-dortmund.de>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Implemented the Neural Fingerprint Model as suggested in the paper "Convolutional Networks on Graphs for Learning Molecular Fingerprints" and suggested in the issue #6077.
Unit test has been added and all tests are passing.