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glysmith 0.11.0

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@fubin1999 fubin1999 released this 08 May 03:22

New features

  • Add step_infer_structure() for inferring glycan structures from composition using glyanno (#13).
  • Add step_sig_enrich_ncg(), step_sig_enrich_wp(), and step_sig_enrich_do() functions for Network of Cancer Gene, WikiPathways, and Disease Ontology enrichment analysis, respectively (#14).
  • AI features now support more model providers including OpenAI, Anthropic, Gemini, OpenRouter, and OpenAI-compatible models. The default model is still deepseek-chat (#15).
  • polish_report() with use_ai = TRUE now includes a summary of the analysis results at the end of the report, generated by the LLM using multimodal reasoning (#16).

Minor improvements and bug fixes

  • check_glysmith_deps() now checks only the packages required by the supplied blueprint, instead of asking users to install every optional dependency. Step-specific glycoverse packages are optional again, with installation guidance for the glycoverse r-universe repository (#17).
  • Enrichment analysis now uses glyfun instead of glystats, as enrichment analysis functions in glystats have been deprecated in favor of glyfun (#10).
  • quench_result() no longer leaves a stray Rplots.pdf in the working directory (#18).