Fanwang Meng

Are there any updates on this issue? It is noticed that many sections are missing in Chapter 16. Thanks for helping with this nice book, which is really helpful!

Hi! Thanks for making this nice tool! I think the problem still sits there, ```python feat_selector = mifs.MutualInformationFeatureSelector(method="MRMR", categorical=False, verbose=2) feat_selector.fit(df_X.to_numpy(), y) Auto selected feature #1 : 49, MRMR :...

Thanks for letting me know. @FarnazH I have a working script for now, but I will refactor it and make a PR. The plan is to put all the information...

Thanks for the suggestions. @tovrstra According to my usage experience, this parsing is fast, ~5-10 seconds. I think I am just going to follow this style but can fix it...

This code snippet shows how to build a bais set for a given molecule, simple and fast ```python from iodata import load_one import basis_set_exchange as bse mol = load_one("sample.sdf") #...

> Thanks for keeping track of this. I believe for Gaussian, when using the gen keyword, the basis set for each element should only be listed once. We may needs...

Adding the `basis_set_exchange` would be a very nice feature to build Gaussian input files. I have tested the code you proposed and it worked perfectly on my end. @tovrstra Speaking...

Dear Esteban, thank you for work on #43 . Shall we split the tasks of IO functions stolen from `tamkin` and `molmod` to avoid duplicate efforts, please? Except what has...

Dear Esteban, I am trying to fix the dependency problem for codes taken from `tamkin`, which is mostly about stealing some codes from `molmod`, https://github.com/theochem/iodata/issues/36#issuecomment-472716912. If we can divide the...

> > Dear Esteban, I am trying to fix the dependency problem for codes taken from `tamkin`, which is mostly about stealing some codes from `molmod`, [#36 (comment)](https://github.com/theochem/iodata/issues/36#issuecomment-472716912). If we...