Published November 17, 2020
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Supporting Information: Molecular geometries and energies from quantum mechanical calculations and small molecule force field evaluations
- 1. UC Irvine
- 2. Janssen
- 3. OpenEye
Description
This provides Supporting Information for our work, "Benchmark assessment of molecular geometries and energies from small molecule force fields", in the form of additional plots, statistics, and analysis. Supporting datasets are also available at DOI 10.5281/zenodo.4247859. This corrects the earlier version of this document by providing the correct PDF.
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benchmarkFF_SI.pdf
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