2024-12-11 JCl/LW check-in

Owned by Lily Wang, created
Last updated: Dec 11, 2024
1 min read

Participants

  • @Lily Wang

  • @Jennifer A Clark

Goals

  • Go over goals for the year and first 90 days

  • Work out regular check-in time + general working hours

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Discussion topics

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Presenter

Notes

Item

Presenter

Notes

 

 

  • JCl: am I ok to go ahead with laptop purchase?

    • LW: Sure, DLM has already approved.

    • JCl: thinking of downgrading RAM from 24 → 16 GB

  • LW: *went over Genentech strategy document*

    • LW: minimum product is the dataset/s. Additional deliverable is a way to index and search molecules – SMILES isn’t suitable. Also another goal of the position is long-term dataset storage and archival.

  • Clean versions of FF fitting datasets

    • JCl: should we go back to the FF fitting repos and edit the READMEs to point to these?

      • LW: yes, sounds good – a link to Sage 2.2 below

  • JCl: brought up pyproject.toml and packaging best practices. May want to get onto PyPI now that dependencies are also on there.







Action items

Decisions