Fix numerical issues and efficiency issues

bioinf-jku / FCD

Fréchet ChemNet Distance: A quality measure for generative models for molecules

GNU Lesser General Public License v3.0

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Fix numerical issues and efficiency issues #19

Closed renzph closed 6 months ago

renzph commented 6 months ago

Fix some numerical issues and do some argument checking in bf693457499243aa9aefa9db4b4c640a116998a3. Automate tests and add some shields in 2c459375e859243dae7be4991ae27c9c59354961