From 0c9f9a69bc51db921a0fbf155569e641640439fb Mon Sep 17 00:00:00 2001 From: Yucheng Yin Date: Sat, 21 Oct 2023 06:09:03 -0400 Subject: [PATCH] Update installation steps to work in 2023 --- README.md | 7 +++---- requirements.txt | 1 + 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index be6caaa..32da2ad 100644 --- a/README.md +++ b/README.md @@ -77,9 +77,8 @@ 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 notebook -pip install git+https://github.com/bp-kelley/descriptastorus -pip install DeepPurpose +pip install git+https://github.com/bp-kelley/descriptastorus@2.4.0 +pip install git+https://github.com/sniperyyc/DeepPurpose ``` ### Build from Source @@ -88,7 +87,7 @@ First time: ```bash git clone https://github.com/kexinhuang12345/DeepPurpose.git ## Download code repository cd DeepPurpose ## Change directory to DeepPurpose -conda env create -f environment.yml ## Build virtual environment with all packages installed using conda +pip install . ## Install DeepPurpose conda activate DeepPurpose ## Activate conda environment (use "source activate DeepPurpose" for anaconda 4.4 or earlier) jupyter notebook ## open the jupyter notebook with the conda env diff --git a/requirements.txt b/requirements.txt index 48afd2e..569d66b 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,4 +1,5 @@ rdkit-pypi +notebook numpy pandas tqdm