search

cmelab / forcefields

1 stars 2 forks source link

Combo #8

Closed madilynpaul closed 1 year ago

madilynpaul commented 1 year ago

Written in how to create an OpenFF molecule from a mol2 file. Also added a polymer builder so we can create our dimers/polymers in this repo.

review-notebook-app[bot] commented 1 year ago

Check out this pull request on  ReviewNB

See visual diffs & provide feedback on Jupyter Notebooks.

Powered by ReviewNB