ChemPlot
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mcsorkun
A python package for chemical space visualization.
Installing build dependencies ... done Getting requirements to build wheel ... done error: subprocess-exited-with-error × Preparing metadata (pyproject.toml) did not run successfully. │ exit code: 1 ╰─> See above for...
I get this error. cp_BACE.interactive_plot(show_plot=True) Any idea what is the problem? '''python { "name": "AttributeError", "message": "unexpected attribute 'plot_width' to figure, similar attributes are outer_width, width or min_width", "stack": "---------------------------------------------------------------------------...
Hello! Thanks for uploading the packaged. I'm currently running on an M1 Mac with python 3.10 and I get this error when loading the tutorial dataset file. Any idea why...
Hello, is it possible to control the type/number of descriptors calculated for the dataset by Mordor when using the , those that are afterwards used in the dimensionality reduction process?....
When using similarity type 'structural' together with t-SNE, an `AttributeError: 'list' object has no attribute 'shape'` is thrown. Code to reproduce the error: ```python from chemplot import Plotter, load_data data_BBBP...
Hi! When trying to install with pip, I get errors with the matplotlib and scikit-learn libraries, even though both are installed and up to date. At the bottom, I paste...
Hello, Very sorry to bother you. I need a 3D representation created using chemplot. How I can do that? I created a umap using tailored similarity. Now I am being...
Hi @mcsorkun , Hi @dajtmullaj , When we initiate the Plotter with a given data it always tends to generate an ECFP fingerprint size of 2048. Is it possible to...