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FPSim2 performs better with high search thresholds (\u003e=0.7). Currently used in the [ChEMBL](http://www.ebi.ac.uk/chembl/) and [SureChEMBL](https://www.surechembl.org/) interfaces.\n\nHighlights:\n- Uses CPU POPCNT instruction for fast bit counting\n- Bounds for sublinear speedups from [10.1021/ci600358f](https://pubs.acs.org/doi/abs/10.1021/ci600358f)\n- A compressed file format with optimised read speed based in [PyTables](https://www.pytables.org/) and [BLOSC2](http://www.blosc.org/pages/blosc-in-depth/)\n- Fast multicore CPU and GPU similarity searches\n- In memory and on disk search modes\n- Distance matrix calculation\n\n## Installation\n\nWith [pip](https://pypi.org/project/FPSim2/):\n\n```bash\npip install fpsim2\n```\n\nWith [conda](https://anaconda.org/conda-forge/fpsim2):\n\n```bash\nconda install conda-forge::fpsim2\n```\n\nWith [SBGrid](https://sbgrid.org/software/titles/fpsim2):\n```\nsbgrid-cli install fpsim2\n```\n\n## Documentation\n\nDocumentation is available at https://chembl.github.io/FPSim2/\n\n\n## Trying it online\n\nTo try out FPSim2 interactively in your web browser, check out this Google Colab notebook [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/drive/1E-Hu0YXHb4aaVQWOLzMTJFdAhh3nIbxA)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fchembl%2FFPSim2","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fchembl%2FFPSim2","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fchembl%2FFPSim2/lists"}