foundry-ml/elwood_md_v1-2

Project Elwood: MD Simulated Monomer Properties Dataset Information Source: Foundry-ML DOI: 10.18126/8p6m-e135 Year: 2022 Authors: Schneider, L, Schwarting, M, Mysona, J, Liang, H, Han, M, Rauscher, P, Ting, J, Venkatram, S, Ross, R, Schmidt, K, Blaiszik, B, Foster, I, de Pablo, J Data Type: tabular Fields Field Role Description Units SMILES input Canonical SMILES string of molecule arb E_coh (MPa) target Simulated cohesive energy (in… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/elwood_md_v1-2.