Open FloSeu opened 1 month ago
Thank for your interest in MiMiCPy and MiMiC. This repo has moved to https://gitlab.com/mimic-project/mimicpy. However, the issue you stated is still valid in the new repo. If you have a GitLab account, please repost the issue there: https://gitlab.com/mimic-project/mimicpy/-/issues/
With pandas >2.0, the DataFrame.append() function, that was previously deprecated, was removed. Therefore, in the preqpm utility, the following error is produced when selecting atoms: