Downloaded over 5 Billion times, NumPy is the most popular library for numerical computing in Python. It wraps low-level HPC libraries like BLAS and LAPACK, providing a high-level interface for matrix operations. BLAS is mainly implemented in C, Fortran, or Assembly and is available for most modern chips, not just CPUs. BLAS is fast, but bindings aren’t generally free. So, how much of the BLAS performance is NumPy leaving on the table?| ashvardanian.com
TLDR: I’ve finally finished a project that involved gathering 7 billion small molecules, each represented in SMILES notation and having fewer than 50 “heavy” non-hydrogen atoms. Those molecules were “fingerprinted”, producing 28 billion structural embeddings, using MACCS, PubChem, ECFP4, and FCFP4 techniques. These embeddings were indexed using Unum’s open-source tool USearch, to accelerate molecule search. This extensive dataset is now made available globally for free, thanks to ...| ashvardanian.com
