Update CI.yaml - Githubissues

rinikerlab / reeds

This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.

https://rinikerlab.github.io/reeds/

MIT License

30 stars 8 forks source link

Update CI.yaml #1

Closed RiesBen closed 3 years ago

RiesBen commented 3 years ago

Description

Here I Try to Fix the automatic CI for reproduction of published data.