add unimol docking v2 (#222) #120

	name: Build and Publish Docker

	on:
	push:
	branches:
	- main

	jobs:
	docker:
	runs-on: ubuntu-latest
	steps:
	-
	name: Checkout
	uses: actions/checkout@v3
	-
	name: Set up QEMU
	uses: docker/setup-qemu-action@v2
	-
	name: Set up Docker Buildx
	uses: docker/setup-buildx-action@v2
	-
	name: Login to DockerHub
	uses: docker/login-action@v2
	with:
	username: ${{ secrets.DOCKERHUB_USERNAME }}
	password: ${{ secrets.DOCKERHUB_TOKEN }}
	-
	name: Build and push
	uses: docker/build-push-action@v3
	with:
	context: ./unimol/docker/
	push: true
	tags: dptechnology/unimol:latest-pytorch1.11.0-cuda11.3

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