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Mobley Group, University of California, Irvine
- Irvine, CA
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- https://mobleylab.org/people/caitlin-bannan/
Pinned repositories
279 contributions in the last year
Contribution activity
February 2019
Created a pull request in MobleyLab/chemper that received 1 comment
[WIP] makes protein SMIRNOFF
This PR will be open as a way to show my progress while I attempt to use chemper to convert ff14SB to the SMIRNOFF format. For now, there is just a…
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Created an issue in openforcefield/openforcefield that received 10 comments
Make all offxml files compatible
@ChayaSt attempted to run the example from the README and was running into a weird error, that initially I wasn't able to replicate, but then tried…
10
comments