Parallelize the filters - Githubissues

nlesc-nano / flamingo

Computation and filtering of molecular properties

Apache License 2.0

1 stars 1 forks source link

Parallelize the filters #38

Closed felipeZ closed 3 years ago

felipeZ commented 3 years ago

TODO

For each batch parallelize the filters:

[x] Functional groups
[x] synthesizability score