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Open Force Field
openforcefield.org
did:plc:hnc44wlr32a3h6i2ubwss6i5
New preprint describing our GNN charge model, AshGC!
Since QM methods of charge assignment scale poorly to larger molecules, and are also conformation dependent, AshGC leads to major performance improvements in this critical step in force field parameterization.
https://chemrxiv.org/engage/chemrxiv/article-details/6940a48308e316a05f001dd6
2026-01-06T18:15:54.638Z