/pistache_rdkit

Primary LanguageC++MIT LicenseMIT

pistache_rdkit

Very dirty and simple C++ REST API example. Using defaults in most functions for now.

To run it

Build the Docker image and run a container

docker-compose up -d

Query the service:

curl --request POST -d "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1c(O)ccc2c1cccc2" http://localhost:9080/murckoScaffold

To stop and delete the running container

docker-compose down