Ichiru Take
Ichiru Take
**Why does this PR:** I did the small project in which the properties of a particular atom inside a molecule can be predicted within a defined subgraph. The core idea...
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815 -------------- Note: This is my final PR from 4815. There are still some further work to smooth out and...
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815 --------------------- Updated Changes: - [Remark]: Optimize `VectCollections.py` - [Bug Fix]: A typo in method `Uniquify()` has been fixed
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815 -------------------------------- Updated Changes: - [Remark]: In `ChemicalFeatures.py`, https://stackoverflow.com/questions/16940293/why-is-there-no-tuple-comprehension-in-python - [Recall]: Optimize function `BRICSBuild()` - [Warning]: An extra test has...
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815 A second patch later after review. If the warning below is correct. This could be a bug-fix, I guessed...
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815 ---------------------------------- Updated Changes: - [Q&A]: Line 12 use `import win32clipboard` in `chemdraw _qax.py`. I cannot find any particular usage...
This is the sub-PR breaking from the large PR 4815: https://github.com/rdkit/rdkit/pull/4815
There are some csv file that is not good for usage. Some features leaks some data which is incorrectly represented among other molecules. Can you tuned up and re-update to...