Adrian Henle
Adrian Henle
The `fix=true` functionality has stopped working as it used to. When attempting to update doctest outputs in this way, the result is now a warning (`Warning: could not find code...
Sometimes `Radio` objects interpolated into markdown cells do not behave correctly. This radio button will respond visually, but will not change the value of `var`: ``` md""" blah blah: $(@bind...
The functionality throughout the JuliaGraphs ecosystem is quite robust. It would be awesome if MolecularGraph were part of it. This would allow directly plugging GraphMol objects into workflows built for...
Loading an aromatic molecule from SMILES using `smilestomol` gives a `GraphMol` object, `mol`. `isaromaticbond(mol)` returns the correct BitVector for which bonds are aromatic; `[x.isaromatic for x in mol.edgeattrs]` does not....
Given an input SMILES string and SMARTS query from the MACCS fingerprinting scheme (we are trying to implement this fingerprinting for the package) we found the following issue: ```julia using...
The links to the tutorials at [https://fluxml.ai/GeometricFlux.jl/stable/geometricflux/stable/tutorials/](https://fluxml.ai/GeometricFlux.jl/stable/geometricflux/stable/tutorials/) are all broken.
In the documentation, code is given that does not run. The problem is that the node feature matrix is transposed vs. what it should be. Example given: ```julia fg =...
Using the package as obtained via the package manager, as of Julia 1.8 the build fails with an error about libLLVM not being found. If the package is added via...
Hello! Not exactly an issue _per se_, but wondering if it is feasible/desirable to add a wrapper for calling the `qvoronoi` function? Also wondering the same for point clouds with...