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55 changes: 55 additions & 0 deletions .github/workflows/api-tests.yml
Original file line number Diff line number Diff line change
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name: unit tests


on:
push:
branches:
- main
pull_request:
branches:
- main

jobs:
test:
runs-on: ubuntu-latest
environment: testing
env:
ANTHROPIC_API_KEY: ${{ secrets.ANTHROPIC_API_KEY }}
OPENAI_API_KEY: ${{ secrets.OPENAI_API_KEY }}
LANGFUSE_SECRET_KEY: ${{ secrets.LANGFUSE_SECRET_KEY }}
LANGFUSE_PUBLIC_KEY: ${{ secrets.LANGFUSE_PUBLIC_KEY }}
LANGFUSE_HOST: ${{ secrets.LANGFUSE_HOST }}
RXN_CLASSIFICATION_MODEL_PATH: ${{ secrets.RXN_CLASSIFICATION_MODEL_PATH }}
AZ_MODEL_CONFIG_PATH: ${{ secrets.AZ_MODEL_CONFIG_PATH }}
AZ_MODELS_PATH: ${{ secrets.AZ_MODELS_PATH }}
AZURE_AI_API_KEY: ${{ secrets.AZURE_AI_API_KEY }}
AZURE_AI_API_BASE: ${{ secrets.AZURE_AI_API_BASE }}
DEEPINFRA_API_KEY: ${{ secrets.DEEPINFRA_API_KEY }}
AWS_ACCESS_KEY_ID: ${{ secrets.AWS_ACCESS_KEY_ID }}
AWS_SECRET_ACCESS_KEY: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
TOGETHER_API_KEY: ${{ secrets.TOGETHER_API_KEY }}
FIREWORKS_AI_API_KEY: ${{ secrets.FIREWORKS_AI_API_KEY }}
ENABLE_LOGGING: False
defaults:
run:
working-directory: ./tests/
strategy:
matrix:
os: [ubuntu-latest]
python-version: [3.9]
steps:
- uses: actions/checkout@v4

- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}

- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install -r requirements_tests.txt

- name: Run LLM tests
run: |
pytest ./api-tests/ -v
Original file line number Diff line number Diff line change
Expand Up @@ -50,6 +50,6 @@ jobs:
python -m pip install --upgrade pip
pip install -r requirements_tests.txt

- name: Run tests
- name: Run LLM tests
run: |
pytest -v
pytest ./llm-tests/ -v
26 changes: 12 additions & 14 deletions results/dfs/dataset.csv
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@RahulJana Please update this file to the latest version

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smiles
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CCC1=C[C@@]2([H])CC(C(OC)=O)=C3[C@]4(C(C=CC=C5)=C5N3)[C@H]2N(CC4)C1C(OC)(=O)C1=C2[C@@]3([C@@]4([C@](C1)(C=C(CC)CN4CC3)[H])[H])C=5C(N2)=CC=CC5
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O=C1C[C@H]2C[C@]3(CC2)[C@@]1([H])CC[C@@H]3C,
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