ricalessandri / Martini3-small-molecules

Martini 3 small-molecule database
https://doi.org/10.1002/adts.202100391
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Add TEMPO M3 model to the small molecule library [arXiv:2209.02072] #14

Open ricalessandri opened 1 year ago

ricalessandri commented 1 year ago

Contributing the Martini 3 model developed for TEMPO in arXiv:2209.02072.

Housekeeping note: I created a new_models/ folder that I don't like because I was unsure whether I should throw the model among the others. Will need to think about it.