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A chronological index of every published field note.

2026²

September¹

By Anton Siomchen
23 Sep, 2026
cheminformatics · RDKit
Faster substructure search with roaring bitmaps and an inverted index
Benchmarking naive scans, pattern fingerprints, roaring bitmaps, PostgreSQL, and inverted indexes for matching SMARTS queries against molecules.
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August¹

FeaturedBy Anton Siomchen
15 Aug, 2026
Pixi · Singularity
From Pixi to Singularity: Shipping a Reproducible Environment for HPC
How to package a locked Pixi environment in Docker, convert it to a Singularity SIF image, and run reproducible OpenMM workloads on HPC systems.
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