François Bérenger
François Bérenger
related to https://github.com/UnixJunkie/molenc/issues/139
done
but throwing it away will be left as a special option, off by default
cf. ``` Aggarwal, C. C., Hinneburg, A., & Keim, D. A. (2001, January). On the surprising behavior of distance metrics in high dimensional space. In International conference on database theory...
Also, implement a fractional distance metric, where f in ]0:1] could be optimized depending on the application.
One problem I foresee is that if you don't train jointly the VAE with the property predictor, then the latent-space will not be organized according to the property. So, you...
maybe report perf. bug in rdkit: it is easy to get 1000 max tautomers reached
Come on, nobody will complain because you give them a bundle to automatically install a software...
I think there was one in biocaml, maybe we can take it there.
@agarwal @pveber might know where it is