epam / epam/Indigo

Name To Structure: construct a resulting Molecule in-place

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#80 0 comments 0 reactions 1 assignee Claimed by @karnaukhovv View on GitHub
Improvement Indigo API
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

Currently, a resulting Molecule object is loaded via SMILES, which is built after parsing phase. We need to build a Molecule object in-place to avoid costly SMILES building and checking.

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