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RadialDistributionFunction was flattened into several features with labels RDF [0.000-0.1000]A (that we previously handled manually).
Probably many more that did not end up affecting our tests.
My proposal to deal with this is
Make a MODNet 0.1.13 release that includes the new pinned dependency files with versions that we know work with the old preset.
Upgrade our dependencies and relax the tests so that we don't check for exact matches between the old DeBreuck2020 preset and what is currently available.
Make a new "kitchen sink" preset that handles the matminer featurizers in their current state.
The text was updated successfully, but these errors were encountered:
As discussed a bit on Teams, the latest matminer versions make several changes to featurizers that affect our presets, e.g.,
BondCenter
definition changed in hackingmaterials/matminer@c177dd1RadialDistributionFunction
was flattened into several features with labelsRDF [0.000-0.1000]A
(that we previously handled manually).My proposal to deal with this is
The text was updated successfully, but these errors were encountered: