Published June 15, 2023
| Version 1.1.7
Software
Open
RanDepict
Authors/Creators
Description
What's Changed
- Major restructuring of the code (this addresses https://github.com/OBrink/RanDepict/issues/5)
- 2D coordinate layouts generated with Indigo are now randomly rotated
- Users now can generate depictions along with cxSMILES strings that contain dimensionless coordinates that describe the positions of the atoms as they have been depicted
- XY-shearing has been removed from the augmentation lists to not to influence the coordinates
- Only the CDK, RDKit and Indigo are used here as PIKAChU re-generates coordinates during the depiction process
Notes
If you use this software, please cite it as below.
Files
OBrink/RanDepict-1.1.7.zip
Files
(59.1 MB)
| Name | Size | Download all |
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md5:d40e2af5479bbcb4d5329eacae0bdfd0
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Additional details
Related works
- Is supplement to
- https://github.com/OBrink/RanDepict/tree/1.1.7 (URL)