Fanwang Meng
Fanwang Meng
Thanks for making this nice package! Can I use `ChemSpiPy` to get the experimental properties? If so, how can I do that provided I am given a SMILES string, **CCO**?...
### Discussed in https://github.com/theochem/Selector/discussions/207 Originally posted by **JackyZzZz** May 15, 2024 I noticed that we need to import ```dissimilarity.py``` from ```methods``` in the ```Running Dissimilarity Algorithms``` example in the documentation....
This is the first PR regarding the GSoC project.
The original implementation did not support the assigning distance function, and the assigning flexible index is not supported. This PR addresses these two problems. This PR should be merged after...
This PR adds the diversity measurements.
The original implementation does not support initial data points but only the medoid. Now we support - an integer - an float - None, which uses the medoid - a...
@marco-2023 mentioned that there are some codes that are used more than once, which can be simplified. This is just a note for future improvement. The current codes work and...