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v2.2.0

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@amcisaac amcisaac released this 18 Apr 22:27
· 3 commits to main since this release
42266e5

Full release for Sage 2.2.0, which fixes some small ring internal angles and sulfamide geometries. All of the code, environments, and and data used for fitting are included in the release assets in the source code tarball. The extra attached file, OpenFF-Industry-Benchmark-Season-1-v1.1-filtered-charge-coverage-cache.json.gz, is a zipped version of the benchmarking dataset cache. To use it, unzip and move it to 05_benchmark_forcefield/datasets and proceed with the benchmarking, skipping the dataset download and cache steps.