Quick Fix#29
Merged
Merged
Conversation
* update refractor * fix reactor * fix lint * prepare bechmark * refractor MODReactor and SynReactor * update crn * refractor cluster, change to matcher, fix code synreactor, now resnow comparable to modreactor * test 3 os * test * test * fix workflow * fix lint * fix win * fix win * fix win again * update smart * add synreactor implicit hydrogen * fix mcsmatcher * refractor visualization * fix conflict rdkit, upgrade to 2025.3.1 * fix lint * move aam_validator to Chem submodule * fix lint * prepare benchmark matcher * change backend rule to mod * prepare doc * add doc * update fih * update graph module doc * update doc * prepare release * . * fix doc * clean doc * fix docstring * fix tutorial * update fig * update explicit_hydrogen for its * prepare release * build doc * fix lint * fix bug in explicit hydrogen for ITS * fix build * fix * fix * fix * fix doc * update nauty canon, rule filters, change benchmark * prepare release * fix bug in nauty alg * update doc * add features for expanding its * add rule_matcher.py * add testcase rule matcher * add wildcard for smiles * add partial engine * update new features * update document * add data * update Chem features * format docstring and refractor Chem module * add auto-test pypi * create dependabot * test run yml * test * test docker * add docker * add docker * . * add readme * rename * release docker * remove redundant file
* update refractor * fix reactor * fix lint * prepare bechmark * refractor MODReactor and SynReactor * update crn * refractor cluster, change to matcher, fix code synreactor, now resnow comparable to modreactor * test 3 os * test * test * fix workflow * fix lint * fix win * fix win * fix win again * update smart * add synreactor implicit hydrogen * fix mcsmatcher * refractor visualization * fix conflict rdkit, upgrade to 2025.3.1 * fix lint * move aam_validator to Chem submodule * fix lint * prepare benchmark matcher * change backend rule to mod * prepare doc * add doc * update fih * update graph module doc * update doc * prepare release * . * fix doc * clean doc * fix docstring * fix tutorial * update fig * update explicit_hydrogen for its * prepare release * build doc * fix lint * fix bug in explicit hydrogen for ITS * fix build * fix * fix * fix * fix doc * update nauty canon, rule filters, change benchmark * prepare release * fix bug in nauty alg * update doc * add features for expanding its * add rule_matcher.py * add testcase rule matcher * add wildcard for smiles * add partial engine * update new features * update document * add data * update Chem features * format docstring and refractor Chem module * add auto-test pypi * create dependabot * test run yml * test * test docker * add docker * add docker * . * add readme * rename * release docker * remove redundant file * fix lint * fix bug * fix lint * add partial its beta * test publising conda * test publising conda * fix workflow * fix workflow * fix workflow * fix workflow again * tes pre-release * tes pre-release * tes pre-release * tes pre-release * tes pre-release * tes pre-release * fix meta.yaml * fix meta.yaml * fix meta.yaml * fix meta.yaml * fix meta.yaml * fix meta.yaml * publish beta * publish beta * debug * debug * debug * debug * debug * debug * debug * debug * prepare release
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
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.
Quick Fix hydrogen