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Release URSA 1.3.0 with route policies and CDXML schemes - #8

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nbondarev-insilico merged 1 commit into
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feat/sync-public-1.3.0
Sep 28, 2026
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nbondarev-insilico merged 1 commit into
developfrom
feat/sync-public-1.3.0

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@nbondarev-insilico nbondarev-insilico commented Sep 28, 2026 •

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Summary

  • Release URSA 1.3.0 and score routes with public ChemCensor 1.4 against the U3 database.
  • Add optional building-block matching and best-path selection policies.
  • Export CDXML schemes named by benchmark structure ID.

Test plan

  • uv run pytest (248 passed, 39 skipped)
  • uv run pre-commit run --all-files on the changed files
  • Scoring run downloaded ChemCensor-DB-U3.sqlite (5,559,713,792 bytes) and --prepare-cdxml-files wrote X404-1760-0042.cdxml and X404-1768-3704.cdxml

Score with public ChemCensor 1.4 and the U3 database, and name exported schemes by benchmark structure ID.

Co-authored-by: Cursor <cursoragent@cursor.com>
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nbondarev-insilico merged commit 65c1e47 into develop Sep 28, 2026
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nbondarev-insilico deleted the feat/sync-public-1.3.0 branch September 28, 2026 08:06
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2 participants