Prompting improvements - #229

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gunnarrl wants to merge 9 commits into

FLASK-LLNL:mainfrom

gunnarrl:prompting-improvements

Commits on Aug 7, 2026

use molecule db for molecule naming
Gunnar Larsen
committed
7ec25f1
smiles helper function
Gunnar Larsen
committed
b578474
fix whitespace
Gunnar Larsen
committed
d29f3c8
return none if invalid smiles
Gunnar Larsen
committed
8cd946d
updated prompt w/ preferred name and functional groups
Gunnar Larsen
committed
cf9ab13
back in black
Gunnar Larsen
committed
c75b785
remove old prompts
Gunnar Larsen
committed
b336cfe
Extra newline
Gunnar Larsen
committed
4c68feb

Commits on Aug 10, 2026

make ai preferred name the default
Gunnar Larsen
committed
1ec6379