Jakub Lála

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                                            Jakub Lála

Mypy: Missing named argument "client" for "ChatOpenAI"

Same issue. Any idea how to go around it?

Build openmm-plumed in a container

I have the same issue when I am trying to install within a conda environment. Any updates, @gorgW ?

Recommended approach to writing out a subset of atoms with XTCReporter/DCDReporter?

This would be very helpful, but the comment by @sef43 is a great alternative! Thanks!

Support `--no-deps` option for pypi dependencies

+1 Would be great to have this!