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ChemLab-Assets / scripts /spectral_library

161 kB

Ctrl+K

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1 contributor

History: 3 commits

Ziruibest's picture

Release 1.5.0: chemlab command line for LLM agents; labware, storage and reagents

3b67020 verified 5 days ago

apply_to_substances.py

5.04 kB
Release 1.5.0: chemlab command line for LLM agents; labware, storage and reagents 5 days ago
build_crosswalk.py

27 kB
Release 1.5.0: chemlab command line for LLM agents; labware, storage and reagents 5 days ago
build_library.py

35.9 kB
Release 1.5.0: chemlab command line for LLM agents; labware, storage and reagents 5 days ago
compounds_list.py

18.5 kB
Release 1.5.0: chemlab command line for LLM agents; labware, storage and reagents 5 days ago
ecn.py

5.02 kB
Add files using upload-large-folder tool 16 days ago
fetch_sources.py

7.7 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago
gc_demo_real.py

9.34 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago
jcamp.py

6.61 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago
select_expansion.py

28.7 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago
verify_rebuild.py

7.94 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago
write_readme.py

8.81 kB
Release 1.1: output templates, 200-compound shared table, strengthened template libraries 15 days ago