The lecture is part of a series on modeling within nanoscience, and the hosting site, nanohub.org, has many other interesting things.
Posts
The wrong type of SMILES
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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...
1 week ago
2 comments:
hi,
congratulations on your blog.
i'm a chemist researcher too.
If you could, make an example about intrinsic reaction coordinate in gamess.
thank you,
Lucas
Thank you!
Good idea. I'll see what I can do.
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