install rdkit via pip instead of conda to simplify

kexinhuang12345 · Sep 6, 2023 · 28129d8 · 28129d8
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diff --git a/README.md b/README.md
@@ -77,7 +77,6 @@ We recommend to install it locally since Binder needs to be refreshed every time
 ```bash
 conda create -n DeepPurpose python=3.6
 conda activate DeepPurpose
-conda install -c conda-forge rdkit
 conda install -c conda-forge notebook
 pip install git+https://github.com/bp-kelley/descriptastorus 
 pip install DeepPurpose

diff --git a/requirements.txt b/requirements.txt
@@ -1,3 +1,4 @@
+rdkit-pypi
 numpy
 pandas
 tqdm
-Original file line number
+Diff line change
@@ -1,3 +1,4 @@
+    rdkit-pypi
     numpy
     pandas
     tqdm
@@ Expand Down @@