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eloyfelix committed Jan 13, 2025
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2 changes: 1 addition & 1 deletion README.md
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FPSim2 is a small NumPy centric Python/C++ RDKit based package to run fast compound similarity searches. FPSim2 performs better with high search thresholds (>=0.7). Currently used in the [ChEMBL](http://www.ebi.ac.uk/chembl/) and [SureChEMBL](https://www.surechembl.org/) interfaces.

Highlights:
- Using CPU POPCNT instruction
- Uses CPU POPCNT instruction for fast bit counting
- Bounds for sublinear speedups from [10.1021/ci600358f](https://pubs.acs.org/doi/abs/10.1021/ci600358f)
- 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/)
- Fast multicore CPU and GPU similarity searches
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2 changes: 1 addition & 1 deletion docs/index.md
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## Highlights

- Uses SIMD instructions
- Uses CPU POPCNT instruction for fast bit counting
- Implements bounds for sublinear speedups from [10.1021/ci600358f](https://pubs.acs.org/doi/abs/10.1021/ci600358f/)
- Features a compressed file format with optimized read speed based on [PyTables](https://www.pytables.org/) and [BLOSC2](http://www.blosc.org/pages/blosc-in-depth/)
- Provides fast multicore CPU and GPU similarity searches
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