François Bérenger

for people w/ an allergy to other tools

molenc_rfr.py has no --scan-mtry

1

also, no --no-plot

this implementation uses too much memory; so in some cases we might want to use bagging in order to still train on a large dataset

molenc_get: add a -v option

1

only output molecules from input which are not mentioned in the list of names

Do you support point cloud optimal superposition? [question]

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### Checklist - [x] I have searched for [similar issues](https://github.com/isl-org/Open3D/issues). - [x] For Python issues, I have tested with the [latest development wheel](https://www.open3d.org/docs/latest/getting_started.html#development-version-pip). - [x] I have checked the [release...

Any rotation / translation commands? [feature request] [question]

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Hello, Is there a tool/command to translate the coordinates of a whole pdb? E.g. by providing a 3D vector. Same question for rotation? E.g. by providing a 3D vector (the...

probably useful method for rdkit: permutation invariant RMSD [feature request]

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Cf. this article for details: Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions https://pubs.acs.org/doi/10.1021/acs.jcim.4c02143