John Perdew and Adrienn Ruzsinszky have published a fantastically readable summary of density functional theory in International Journal of Quantum Chemistry, who, very commendably, has made it freely available.
Posts
The wrong type of SMILES
-
When I wrote the blog post on ANNalog, there was an instant flurry of
interest. ANNalog is a generative model that suggests medchem analogs given
an inpu...
3 days ago
1 comment:
thanks a lot for the hint!
Marcelo (UFMT)
Post a Comment