Alfredo Quevedo

icon indicating a website link https://unitefa.conicet.unc.edu.ar/mario-alfredo-quevedo/ icon indicating an email [email protected]

icon company Faculty of Chemical Sciencies, UNC icon location Cordoba, Argentina icon location Professor at the Faculty of Chemical Sciences, National University of Cordoba, Argentina. Discipline: Medicinal Chemistry and Computer Aided Drug Design

Results 5 comments of Alfredo Quevedo

void SetKernelsGpuData(GpuData*) error

Dear Francisco, Thank you very much for your reply. The issue you pointed out solved my problem. Kind regards Alfredo

Using similarity type "structural" throws AttributeError if using t-SNE

Hello, I am facing this problem too. Was it possible to fix the code to accept the 'structural' keyword? Thank you very much in advance for the support! best regards

Using similarity type "structural" throws AttributeError if using t-SNE

Hello Marcel, Thank you very much for suggesting this workaround! it worked as expected, kind regards Alfredo

Torchdata `datapipes` deprecation from 0.9.0 --> 0.11.0

Hello, I am experiencing this issue related to the error of a missing `datapipes` module installing espaloma_charge with pip. Any suggestion on how to solve it? thanks in advance

Torchdata `datapipes` deprecation from 0.9.0 --> 0.11.0

Thank you @mikemhenry for the feedback. I installed the package using `mamba` and worked as expected, regards