adding kinase featurizing code

openkinome / kinoml

Structure-informed machine learning for kinase modeling

https://openkinome.org/kinoml/

MIT License

52 stars 21 forks source link

adding kinase featurizing code #28

Closed jiayeguo closed 4 years ago

jiayeguo commented 4 years ago

Description

Provide a brief description of the PR's purpose here.

Todos

Notable points that this PR has either accomplished or will accomplish.

[ ] test distance calculation and compare with Dunbrack results

Questions

[ ] Question1

Status

[ ] Ready to go

schallerdavid commented 4 years ago

Hey @jiayeguo,

thanks for the great work! Did you branch out from master? In this case could you create a new branch from the api branch, add your changes there and create a PR targeting the api branch. The master branch is currently way behind api.

jiayeguo commented 4 years ago

Hey @schallerdavid yes I was trying to commit into master from another branch featurize---should I now try to do this again but into api?