Either docker or Git not working.

[supershiye]

1. The docker file no longer working due to nvidia-docker was no long exisited. The new nvidia-container-toolkit needs a cuda driver placed in docker.
2. Several out-dated packages in this repo needs to be upgraded including some base functions in python. I have seen some pull requests being there for two or three years. There is no commits being done.

Overall, I apperciate the author published the code. But I hope some one in your research lab could be able look into it.

[Eshwar1502]

Try installing the molsets version of 0.1.0 , It worked for me