End-to-end, input-agnostic data pipeline for RAPTR automation platform
● Point person to interact with Labman software engineer on robotics/analytical back end
○ No current internal expert serving this role
● Build gSheet platform to interface with ELN, robotics, database, and analytics systems
○ Borrow what we can from Basel system
● Design and implement extraction protocol for raw Agilent LC-MS data
○ Not trivial, but temporary solutions available (e.g., MGears)
● Adapt apps script code to allow for communication with AWS database
○ Key challenge, hopefully able to address this with gCS guidance
● Adopt and deploy RoSL/HORSS Spotfire analytics dashboard for use with RAPTR
ML-centric Database Development (rolling basis – full term of contract)
AWS database for reaction data, analytical data, and molecule ID/parameter storage
● Carry on work of Roche apprentice to develop AWS database
○ Emphasis on analytical data and ML parameter storage
MLOps / Web Apps (time-permitting)
Production and maintenance of ML models within SMPS
● Work with gCS to host current ML models on Weights & Biases platform
○ Rich can do this, but it would be better if we can shift the workload
● Build and deploy web apps for ingesting data into / querying AWS database
○ POC in progress, can expand to various applications as needed
