An open-source Rust package computes molecular assembly indices exactly and fast, with a new vector addition chain bound and benchmarks showing up to 410x speedups over prior code.
Gebhard, Aaron C
1 Pith paper cite this work. Polarity classification is still indexing.
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physics.chem-ph 1years
2025 1verdicts
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Open, Reproducible Calculation of Assembly Indices
An open-source Rust package computes molecular assembly indices exactly and fast, with a new vector addition chain bound and benchmarks showing up to 410x speedups over prior code.