cannabis Run #312
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
name: Cannabis Generative AI Bot | |
on: | |
issues: | |
types: | |
- labeled | |
jobs: | |
cannabis_run: | |
if: github.event.label.name == 'run_cannabis' | |
runs-on: "ubuntu-latest" | |
steps: | |
- name: Checkout source | |
uses: actions/checkout@v2 | |
- name: Setup python | |
uses: actions/setup-python@v2 | |
with: | |
python-version: 3.7 | |
architecture: x64 | |
- uses: actions/cache@v2 | |
with: | |
path: ${{ env.pythonLocation }} | |
key: ${{ env.pythonLocation }}-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }} | |
- name: Install | |
run: | | |
pip install scikit-learn==0.19.2 | |
pip install pandas | |
pip install numpy | |
pip install scipy | |
pip install pexpect | |
pip install rdkit-pypi | |
pip install torch | |
pip install tqdm | |
pip install requests | |
- name: Run Analysis | |
env: | |
GITHUB_TOKEN: ${{ secrets.ISSUE_TOKEN }} | |
run: | | |
cd machine_learning_operations/cannabis | |
python main.py --scoring-function activity_model --num-steps 100 --batch-size 10 > results.out | |
python generate_images.py | |
- name: Send file README.md to discord channel | |
uses: sinshutu/upload-to-discord@master | |
env: | |
DISCORD_WEBHOOK: ${{ secrets.FAITH_TOKEN }} | |
with: | |
args: machine_learning_operations/cannabis/results.png | |
fetch_training_set: | |
if: github.event.label.name == 'fetch_cannabis' | |
runs-on: "ubuntu-latest" | |
steps: | |
- name: Checkout source | |
uses: actions/checkout@v2 | |
- name: Setup python | |
uses: actions/setup-python@v2 | |
with: | |
python-version: 3.7 | |
architecture: x64 | |
- uses: actions/cache@v2 | |
with: | |
path: ${{ env.pythonLocation }} | |
key: ${{ env.pythonLocation }}-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }} | |
- name: Install | |
run: | | |
pip install scikit-learn==0.19.2 | |
pip install pandas | |
pip install numpy | |
pip install rdkit-pypi | |
- name: Fetch Training Set | |
env: | |
GITHUB_TOKEN: ${{ secrets.ISSUE_TOKEN }} | |
run: | | |
cd machine_learning_operations/cannabis | |
python fetch_training_set.py | |
ls | |
- name: Send file README.md to discord channel | |
uses: sinshutu/upload-to-discord@master | |
env: | |
DISCORD_WEBHOOK: ${{ secrets.FAITH_TOKEN }} | |
with: | |
args: machine_learning_operations/cannabis/training_set.png | |
remove_chemical: | |
if: github.event.label.name == 'remove_smile_cannabis' | |
runs-on: "ubuntu-latest" | |
env: | |
GITHUB_TOKEN: ${{ secrets.ISSUE_TOKEN }} | |
permissions: | |
contents: write | |
steps: | |
- name: Checkout source | |
uses: actions/checkout@v2 | |
- name: Setup python | |
uses: actions/setup-python@v2 | |
with: | |
python-version: 3.7 | |
architecture: x64 | |
- uses: actions/cache@v2 | |
with: | |
path: ${{ env.pythonLocation }} | |
key: ${{ env.pythonLocation }}-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }} | |
- name: Install | |
run: | | |
pip install pandas | |
pip install click | |
- name: Remove Chemical From List | |
run: | | |
cd machine_learning_operations/cannabis | |
python remove_chemical.py --index ${{ github.event.issue.body }} | |
- name: Commit and Push File | |
uses: stefanzweifel/git-auto-commit-action@v4 | |
with: | |
commit_message: Removing Chemical Item | |
branch: bot-remove-item | |
create_branch: true | |
file_pattern: 'machine_learning_operations/cannabis/chemical_list.csv' | |
retrain_cannabis: | |
if: github.event.label.name == 'retrain_cannabis' | |
runs-on: "ubuntu-latest" | |
steps: | |
- name: Checkout source | |
uses: actions/checkout@v2 | |
- name: Setup python | |
uses: actions/setup-python@v2 | |
with: | |
python-version: 3.7 | |
architecture: x64 | |
- uses: actions/cache@v2 | |
with: | |
path: ${{ env.pythonLocation }} | |
key: ${{ env.pythonLocation }}-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }} | |
- name: Install | |
run: | | |
pip install scikit-learn==0.19.2 | |
pip install pandas | |
pip install numpy | |
pip install scipy | |
pip install pexpect | |
pip install rdkit-pypi | |
pip install torch | |
pip install tqdm | |
pip install requests | |
pip install global-chem | |
- name: Run Analysis | |
env: | |
GITHUB_TOKEN: ${{ secrets.ISSUE_TOKEN }} | |
run: | | |
cd machine_learning_operations/cannabis | |
python smiles_generator.py | |
python data_structs.py mol.smi | |
python train_prior.py | |
- name: Send file README.md to discord channel | |
uses: sinshutu/upload-to-discord@master | |
env: | |
DISCORD_WEBHOOK: ${{ secrets.FAITH_TOKEN }} | |
with: | |
args: "Model Retrained" |