mlcgmd

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Hello, I have been playing around with this repo and have a couple of minor questions: 1. Are the LAMMPS input files used to generate the datasets available? Or can...

arthurfeeney

Hi Xiang, perhaps a skill issue on my side, but I wasn't able to connect the dots between IDs in `graphwm/splits/battery` and samples in https://www.htpmd.matr.io/. In the latter, I see...

maxxxzdn

Encountering difficulties in reproducing the results of the paper.

2

 I have run this code using the single-chain CG polymer dataset and encountered some issues. 1. It seems that the default hyperparameters in graphwm/conf/model/chain.yaml do not use PnR for...

Cristallgalaxy