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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

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SamCox822
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just clearing experiment outputs so that we can redo them -> old ones are saved elsewhere

note: the actual prompts in each notebook will need to still be updated as we run it to new versions.

this is just so we aren't mixing new/old

SamCox822 and others added 4 commits August 8, 2024 11:35
* 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
* 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

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Co-authored-by: Sam Cox <swrig30@ur.rochester.edu>
@SamCox822 SamCox822 requested review from qcampbel and Jgmedina95 and removed request for qcampbel August 9, 2024 19:17
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lgtm. Thanks for doing this!

@SamCox822 SamCox822 merged commit 5a99a9f into experiments Aug 9, 2024
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@SamCox822 SamCox822 deleted the clear-experiments-redo branch August 9, 2024 20:00
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2 participants