Include network embeddings
We have to integrate the network embeddings produced by @mbertoni using
node2vec. These embeddings should be stored as
netemb.h5. The format of
netemb.h5 files should be the same of
sig.h5, i.e. a
keys sorted vector, a
V matrix (
np.float32) (rows sorted accordingly to
- As of today,
_similarity.pyproduces similarity vectors stored in
/aloy/web_checker/molecules/<IN>/<CH>/INCHIKEY/<similars.h5 or sig.h5>.
- These vectors are currently read by @mbertoni and stored as a network.
node2vecis ran to produce embeddings.
- The network should be, in principle, loadable from the output of
- I would recommend that we directly implement this option.
As for the MoA / ATC validations, once the code is integrated within the resource, I will the corresponding functions.