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Clear experiments redo #156

Merged
merged 4 commits into from
Aug 9, 2024
Merged

Clear experiments redo #156

merged 4 commits into from
Aug 9, 2024

Commits on Aug 8, 2024

  1. secondary structure analysis fix (#153)

    * residues in ss msg more accurate
    
    * get ids uniprot test broke
    
    * ensure that rgy figs aren't overwriting each other
    
    * removing stale experiment nbs
    
    * agent can choose 'first' 'last' or 'all' frames for dssp 
    
    * adjusting rgy to take traj & wrote missing rgy unit tests
    
    * memory defaults to false
    SamCox822 authored Aug 8, 2024
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  2. update langchain and expand available llms (#155)

    * removed legacy simulation code
    
    * upgraded langchain, added and sync llms in tools
    
    * fixed uniprot get_ids test
    
    * add claude to models
    
    * fixed a bug in get_pdb returns
    
    * pinned langchain anthropic version
    
    * added separate flags for verbose and streaming
    
    * tidied up system prompt
    
    ---------
    
    Co-authored-by: Sam Cox <swrig30@ur.rochester.edu>
    qcampbel and SamCox822 authored Aug 8, 2024
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Commits on Aug 9, 2024

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  2. cleared experiment outputs

    SamCox822 committed Aug 9, 2024
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