Jakub Adamczyk

The dataset used was [Codon Usage](https://archive.ics.uci.edu/ml/datasets/Codon+usage). Interestingly enough, it has only nonnegative values (codon percentages), so regular cosine is always nonnegative as well. Exact code: ``` import pandas as pd...

I found it - query() method returns indices of nearest neighbors. It would be nice to have a semantic search example on the docs, though. I couls make a PR...

Any way for turning off warnings would be very useful. For cleaning large corpora of email texts, I get incredibly large logs due to those warnings

I mean that if you run exactly the same code twice, you will get two different results. This applies also when conformers are already calculated, as you can see from...

@thegodone the code is, indeed, nondeterministic, as commented here: https://github.com/rdkit/rdkit/blob/a8d4912f88ae2ea9ea7afa366ba5b9c0be09cb79/Code/GraphMol/Descriptors/GETAWAY.cpp#L216 This should be fixed, and this is what this issue concerns.

@greglandrum sure. I used HIV dataset from MoleculeNet, and smallest molecules from it (shortest SMILES, to be precise). I first generate conformers (with 1000 attempts), and then perform 2 GETAWAY...

@thegodone to be precise, I first generate the conformations, and only then I calculate GETAWAY descriptors multiple times. So I get different descriptor values for the same conformation. You can...

Root cause: this error happens because there is no radius N for atoms in a molecule with diameter lower than N. This function returns an environment of radius exactly N,...

@sethmlarson any news on this? If this library is indeed deprecated, or there is no capability to officially support this, maybe select and pass this to other maintainers. This is...

Any news on this?