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b-shields / edbo

Experimental Design via Bayesian Optimization
MIT License
122 stars 41 forks source link

Rdkit installation #12

Open DocMinus opened 3 years ago

DocMinus commented 3 years ago

According to the author (Greg Landrum) I believe the preferred way to install RDKit is conda install -c conda-forge rdkit which has the advantage that way you can use Pyton versions 3.8 and higher as well.

b-shields commented 2 years ago

Noted, if I get a chance I can install and test edbo using this RDKit distribution. For now I am going to leave the install instructions as is to insure that everything works.