steto123

Results 7 issues of steto123

### Is there an existing issue for this? - [X] I have searched the existing issues ### OS Windows ### GPU cuda ### VRAM 12GB ### What happened? When i...

bug

I have some problems to run cascade as local instance. I have cloned the github repo and install the given requirements. Now i run the notebook in the directory CASCADE/cascade-Jupyternotebook-SMILES/models...

running a notebook produce the following error Unreadable Notebook: E:\cascade\jsmol\1 - Basic usage.ipynb NotJSONError("Notebook does not appear to be JSON: '\\n\\n\\n\\n\\n\\n\\n\\n

in the last times i made predictions using the jupyter notebook in have some errors. the first one came from numpy anaconda3\envs\sigma\lib\site-packages\numpy\core\_asarray.py:83: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences...

Analysing an NMR calculation from Orca in ChimeraX is nice. But i can not easily assign the isotropic schift values for specific atoms. In the fiile tool i find a...

enhancement
question

Hello Isicle Team, after solving some problems i have some generally problems. I have installed Isicle in Ubuntu (WSL2) according to the supplemental material, but a command like isicle --help...

Dear colleagues, I have not completely given up on the attempt to operate CASCADE as a local version. Unfortunately, TensorFlow 2 is no longer backward compatible. However, a user here...