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UID:pretalx-juliacon-2026-NWQCHH@pretalx.com
DTSTART;TZID=CET:20260812T103000
DTEND;TZID=CET:20260812T104500
DESCRIPTION:Protein structure minimization is a crucial step before running
  molecular pipelines with the aim to arrive at the lowest potential energy
  conformation. We introduce a mini-batching strategy for ML-based optimiza
 tion algorithms. Leveraging the unified framework of Optimization.jl\, we 
 present a study to systematically assess the performance of different opti
 mization algorithms with our molecular modeling framework [BiochemicalAlgo
 rithms.jl](https://github.com/hildebrandtlab/BiochemicalAlgorithms.jl). Th
 is work provides the framework for identifying optimal algorithms for refi
 nement of protein structures.
DTSTAMP:20260502T114915Z
LOCATION:Room 4
SUMMARY:Effects of stochasticity on molecular minimization - Jenny Leclaire
URL:https://pretalx.com/juliacon-2026/talk/NWQCHH/
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