Published September 22, 2021
| Version 0.4.9
Software
Open
datamol-org/datamol: 0.4.9
Creators
- 1. Valence
- 2. Valence Discovery
- 3. @valence-discovery
- 4. SDS Data Science Group @dsgiitr
- 5. @deepsourcelabs
Description
Added:
to_smarts
for exporting molecule objects as SMARTSfrom_smarts
for reading molecule from SMARTS string
Changed:
- Allow exporting smiles in kekule representaiton
to_smarts
is properly renamed intosmiles_as_smarts
Authors:
- Emmanuel Noutahi
Files
datamol-org/datamol-0.4.9.zip
Files
(1.1 MB)
Name | Size | Download all |
---|---|---|
md5:42062aff492bc2cf8c26e0a6ca5e17e4
|
1.1 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/datamol-org/datamol/tree/0.4.9 (URL)