@misc{fu_2022_6764836, author = {Fu, Xiang and Xie, Tian and Rebello, Nathan and Olsen, Bradley and Jaakkola, Tommi}, title = {{Single-chain CG Polymers in Simulate Time- integrated Coarse-grained Molecular Dynamics with Geometric Machine Learning}}, month = jun, year = 2022, publisher = {Zenodo}, doi = {10.5281/zenodo.6764836}, url = {https://doi.org/10.5281/zenodo.6764836} }