GraphDot
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GPU-accelerated Marginalized Graph Kernel with customizable node and edge features; Gaussian process regression.
Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2019.11.11 to 2024.2.20. Release notes Sourced from pymatgen's releases. v2024.2.20 What's Changed This release addresses an important security issue that might affect some users of pymatgen who...
I am unable to install graphdot. While installing, I am getting the following issue, **Building wheels for collected packages: pymatgen error: subprocess-exited-with-error × python setup.py bdist_wheel did not run successfully....
kernel.cu(25): error: class "node_t" has no member "element" detected during: instantiation of "auto node_kernel_t::operator()(const X &, const X &) const [with X=node_t]" graphdot/graphdot/cpp/marginalized_kernel.h(227): here instantiation of "void graphdot::marginalized::labeled_compact_block_dynsched_pcg::compute(NodeKernel, EdgeKernel, Graph,...