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tools

tools #3044

Workflow file for this run

name: tools
on:
pull_request:
push:
branches:
- master
schedule:
- cron: '0 0 * * *'
jobs:
tools:
runs-on: ubuntu-latest
strategy:
max-parallel: 4
matrix:
python-version: [3.6, 3.8]
steps:
- uses: actions/checkout@v1
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v1
with:
python-version: ${{ matrix.python-version }}
- name: Fetch submodules
run: git submodule update --init
- name: Install dependencies
run: ci/install_dependencies.sh
- name: Install TorchANI
run: python setup.py install
- name: Download data files
run: ./download.sh
- name: Inference benchmark
run: python tools/inference-benchmark.py --tqdm dataset/xyz_files/CH4-5.xyz
- name: COMP6 Benchmark
run: python tools/comp6.py dataset/COMP6/COMP6v1/s66x8
- name: Training Benchmark
run: python tools/training-benchmark.py dataset/ani1-up_to_gdb4/ani_gdb_s01.h5
- name: Training Benchmark Nsight System
run: python tools/training-benchmark-nsys-profile.py --dry-run dataset/ani1-up_to_gdb4/ani_gdb_s01.h5