Gustavo Seabra

LogP Example: "TypeError: embedding(): argument 'indices' (position 2) must be Tensor, not list"

4

Hi, I'm re-running the LogP example using current version of PyTorch, and the execution stops in the reinforcement loop due to a TypeError, as below. Are you aware of any...

RecurringQSAR-Example: "No module named 'data_preprocessing" and missing "

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Hi there, Running the `RecurringQSAR-example.ipynb`, there is an import statement: `import data_preprocessing as dp` that fails because this module is not available. In fact., this in really not such a...

LogP files missing

1

Hi, I'm trying to work on the example notebooks included in the package. Working on the LogP notebook, I noticed that: 1. File paths are pointing to wrong directories: `/data/masha/generative_model/chembl_22_clean_1576904_sorted_std_final.smi`...

Suggestion: a more general shabang?

1

Hey, thanks for developing this package. It just proved really useful for me :-) BTW, may I suggest you use "#!/usr/bin/env python" in the shebang? I believe it is more...

It is an interesting tutorial, but the data for it is missing. Is the data still available somewhere?

Hi guys, First, thank you for making this resource available, the GFlowNet seems a really promising method. My question is that I've installed locally it following the instructions on the...