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Fix bugs

Fix bugs #10

# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python
name: CLI smoke test - train bilinear
on:
[push]
jobs:
build:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: ["3.11", "3.12", "3.13", "3.14"]
steps:
- uses: actions/checkout@v4
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
python -m pip install --upgrade pip
python -m pip install flake8 pytest pytest-cov
if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
pip install -e .[chem,bio,transformers]
- name: Test CLI bilinear model with fingerprints
run: |
bash test/scripts/train-hash-fp.sh
- name: Test CLI hashing/bilinear model
run: |
bash test/scripts/train-hash.sh