Jakub Adamczyk
Jakub Adamczyk
Bump, still relevant. I'll try to add this sometime after RDKit UGM, since this is just the docs anyway
+1, I would like to cite MolVS procedure in the paper
This is still relevant, and actually still breaks my workflows
Bumping this up, the problem still persists.
Bumping up, it would speed up [scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) also with this.
Bump. I compared MHFP and SECFP code, and curiously `EncodeSmilesBulk` for MHFP works. This is despite the fact that code for SECFP is basically identical.
On 2023.9.5 I still get that error, but on the newest 2025.3.3 one it indeed works. So I guess I can close this issue
I face the same problems on GitHub Actions workflow (where I don't fully control the environment). I tried to add `poetry-dynamic-versioning` plugin: ``` [tool.poetry.requires-plugins] poetry-dynamic-versioning = { version = ">=1.0.0,
My workaround was honestly to just rewrite everything to `uv` instead
I get `The specified key does not exist.` in the Evaluate panel, after fresh model retraining. `evaluation.json` file, of course, exists on S3.