Kevin Greenman
Kevin Greenman
Integrate polymer functionality from [Coley group's work](https://github.com/coleygroup/polymer-chemprop)
Removing the chemprop website from the README since these trained models will no longer be available there and the website will be taken down (per discussion in https://github.com/chemprop/chemprop/issues/515 and https://github.com/chemprop/chemprop/issues/518)....
Add resources from #3, which was closed by the author by deleting the branch but contained some good resources
See ChemE columns in the list by Dr. Susan Montgomery (University of Michigan): https://tinyurl.com/DrMCourseResourcesGrid
**Notes** Similar to existing pages in our v2 docs for training, prediction, and conversion. The content can be based on what's currently in the v1 README for those functions.
Continued from #676, which was closed when I moved the branch from the chemprop organization to my personal fork. Please see discussion and unresolved action items there.
**Notes** Akshat found that one can end up with predictions of 0 for all inputs when loading a model from a `best.pt` file. @hwpang found that this is somehow related...
**Notes** At the MLPDS meeting, we got a question about how one could use chemprop featurizers with other packages (e.g. DGL or sklearn), such that they could use the same...
Related to #145, but I think different enough to be its own request. It could be useful in some cases to split molecules based on the presence/absence of an atom...