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moliety2 / data

261 kB

1 contributor

History: 5 commits

tonigi's picture

comment

3a66f46 10 months ago

SMARTS_InteLigand.txt

39.2 kB

move to data dir 11 months ago
convert_daylight_html_smarts_page.py

4.47 kB

comment 10 months ago
parse.txt

578 Bytes

add parser for pseudo-html to extract SMARTS rules into a DataFrame 10 months ago
smarts_examples.ff.txt

55.3 kB

add parser for pseudo-html to extract SMARTS rules into a DataFrame 10 months ago
smarts_examples.html

51.3 kB

move to data dir 11 months ago
smarts_examples.txt

48 kB

move to data dir 11 months ago
smarts_examples_parsed.csv

62 kB

introduce the full daylight expl list 10 months ago