From e13a8d91dcafb9dd477500a180085190b7db5c91 Mon Sep 17 00:00:00 2001 From: Emmanuel Bengio Date: Tue, 5 Oct 2021 11:52:06 -0400 Subject: [PATCH] Update README.md --- README.md | 2 -- 1 file changed, 2 deletions(-) diff --git a/README.md b/README.md index dbc521c..2f01a5e 100644 --- a/README.md +++ b/README.md @@ -24,5 +24,3 @@ For `rdkit` in particular we found it to be easier to install through (mini)cond If you have CUDA 10.1 configured, you can run `pip install -r requirements.txt`. You can also change `requirements.txt` to match your CUDA version. (Replace cu101 to cuXXX, where XXX is your CUDA version). We compress the 300k molecule dataset for size. To uncompress it, run `cd mols/data/; gunzip docked_mols.h5.gz`. - -We omit docking routines since they are part of a separate contribution still to be submitted. These are available on demand, please do reach out to bengioe@gmail.com or mkorablyov@gmail.com.