TinyArrows

TinyArrows is a tiny version of EMSL Arrows

Docker instructions

Running using docker-compose (easiest way to run)

"start Docker Desktop" see https://docs.docker.com/engine/install/ for installation

Install TinyArrows in the directory ~/Public/TinyArrows

cd ~/Public/TinyArrows

docker-compose up

http://localhost:5001/api

http://localhost:5001/api/periodic

http://localhost:5001/api/3dbuilder

http://localhost:5001/api/expert

http://localhost:5001/api/qsharp_chem

http://localhost:5001/api/aerosol

Non-Docker instructions

requirements

pip3 install -r ./requirements.txt

Running Arrows

cd TinyArrows/Public

python3 app3.py

Location of api

http://localhost:5001/api

Manual

https://ebylaska.github.io/TinyArrows/

https://ebylaska.github.io/TinyArrows/reactionpath

Again2

docker build . -t tinyarrows docker run -p 6001:5001 docker.io/library/tinyarrows

installing python packages

pip install -r requirements.txt

or

pip3 install -r requirements.txt