| # Install LiabilityPredictor | |
| # clone LiabilityPredictor project | |
| # it says you can use assay_liability_calculator.py to make | |
| # predictions using the model, but as of 2/2025, this script is broken | |
| # so instead use src/predict_liability.py instead | |
| cd src | |
| # git clone https://github.com/jimmyjbling/LiabilityPredictor.git | |
| # cd LiabilityPredictor | |
| # pip install -r requirements.txt | |
| # cd .. | |
| ## h2o is an AutoML platform | |
| pip install -f http://h2o-release.s3.amazonaws.com/h2o/latest_stable_Py.html h2o | |
| # on OSX I had to also install the java JDK | |
| # brew install java | |
| # I then got an error that I was able to resolve using this | |
| # https://stackoverflow.com/a/65601197 | |
| # sudo ln -sfn /opt/homebrew/opt/openjdk/libexec/openjdk.jdk \ | |
| # /Library/Java/JavaVirtualMachines/openjdk.jdk | |
| ## datamol / molfeat | |
| pip install molfeat | |
| pip install datamol | |