zulissimeta

@lbluque Can we close this? Do we have an equivalent option for the new cli now?

Hi @so2koo - there's no fundamental reason you have to use a fresh environment, but we also can't support every possible combination of packages or environments where conflicts occur. If...

The new fine-tuning tutorial is here https://fair-chem.github.io/core/common_tasks/fine_tuning.html @nevinngyt @Zhangzhiwei39 please let us know if this isn't clear or there's anything we can do to further improve the tutorial! Closing for...

> @zulissimeta: Happy to accept something along these lines. First, a quick question though: is it unavoidable that the .nfs files will be present? For instance, [this comment](https://stackoverflow.com/a/58943527) suggests that...

This might be related (and if so, it might be worth trying the tests again with the latest prefect3): https://github.com/PrefectHQ/prefect/issues/14036

> @zulissimeta: Thanks for this PR! I will have to try it out, but looking at the code and your writeup, this seems logical to me. I do not have...

> @Andrew-S-Rosen Thanks a lot for the mini-review of it. That indeed is an error to be solved if we use this approach. My short thought is to use an...

@tdpham2 I'm going to close this since there's not a great way right now to do high-throughput inference on many different systems with varying charge/spin in ASE without making a...

@brunosamp4 The experimental energy you mention is a small negative number. My guess is you mean the adsorption energy of C2H6 relative to gas phase C2H6 (and the small negative...

Builds are failing because all documents run in parallel in jupyterbook2 right now. We should wait for this PR: https://github.com/jupyter-book/mystmd/pull/2428 Issue: https://github.com/jupyter-book/mystmd/issues/1831