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chem-converter
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44ee556
chem-converter
/
schemist
93.9 kB
4 contributors
History:
22 commits
Eachan Johnson
Add Gradio demo
44ee556
about 1 year ago
app
Add Gradio demo
about 1 year ago
__init__.py
73 Bytes
Tidy up
about 1 year ago
cleaning.py
597 Bytes
Initial commit
almost 2 years ago
cli.py
23.9 kB
Tidy up
about 1 year ago
collating.py
12 kB
Fixes and updates
over 1 year ago
converting.py
9.6 kB
Add optional dataframe conversion to speed up fingerprinting
about 1 year ago
features.py
9.17 kB
Add SMILES index to dataframe
about 1 year ago
generating.py
10.1 kB
Initial commit
almost 2 years ago
io.py
3.87 kB
Fix linting issue
over 1 year ago
rest_lookup.py
3.88 kB
Initial commit
almost 2 years ago
splitting.py
5.45 kB
Fixes and updates
over 1 year ago
tables.py
7.33 kB
Tidy up
about 1 year ago
typing.py
223 Bytes
Initial commit
almost 2 years ago
utils.py
44 Bytes
Initial commit
almost 2 years ago
