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goccs is an ion mobility collision cross section prediction software with binaries for all major platforms. CCS values are calculated in a few simple steps. No installation is required!
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38
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updated benchmarks to explicitly include both PA and EHS. updated README accordingly
59280bbView on GitHubXYZ file reading now handled windows control characters properly.
3445781View on GitHubmade sure that random numbers will always be run non-deterministically.
6fe74f7View on GitHub