Miroslav Lzicar

Introducing a cellular-automata-native benchmark, leaderboard, and dataset suite that scores reasoning systems on metadata-rich ARC-AGI style episodes.

A quick note on adapting ISONET’s Gumbel–Sinkhorn edge alignment to molecular substructure search, with links to the source notebook and paper.

CHEESE is a web-based shape and electrostatic search engine. If you want to drop it into your web page, blog post, CMS or a private dashboard, an iframe embed is the quickest path—no additional scripts required.

Ultra-lean BitBIRCH rewrite that clusters hundred-million scale molecular libraries with on-the-fly compression, optional C++ accelerators, and a batteries-included CLI.

There are two distinct technologies to search in databases of molecules. This post explains both with intuitive LEGO illustrations and presents a practical guide on when to use each.

A recent paper claims an established virtual screening benchmark to be 'fundamentally compromised' due to 'egregious data leakage, rampant duplication, and pervasive analog redundancy', rendering it 'unfit for its intended purpose' and 'calling into question previous results based on its use'. The catch: the authors canonicalized to non-isomeric SMILES, effectively collapsing stereoisomers into duplicates.

An open-source React application that extracts all references from academic papers using DOI, converts them to 5000+ citation formats, and enables bulk downloads. Built with OpenCitations API and modern web technologies.

This is my billion-scale vector engine for 3D shape & electrostatic molecular similarity. It turns ligand-based screening into nearest-neighbour lookups—so you can *search, rank, and visualise* huge chemical spaces in seconds.

Web pages used to feel like the most boring part of programming—until I discovered React. In this post I reflect on my coding journey from the backend to the frontend.

A dockerized deployment of EPAM's Ketcher chemical structure editor with iframe communication API, React 19, and production-ready configuration for seamless integration into web applications.

Some notes on which texts are published here or not, why, and what the plans are.

Using on‑chain metadata for every token minted on Solana in February 2025, we show that fewer than 0.01 % of fresh meme‑coins meet even the loosest criteria for legitimacy.

In Frieren: Beyond Journey’s End, magic isn’t just a tool or a talent—it’s a reflection of character, circumstance, and culture history. From obsession and duty to chance and inheritance, the reasons characters become mages are as varied as the spells they wield. This piece collects dialogue excerpts from the anime’s first season to show how magic, for each mage, holds a different meaning—and often, no single explanation.

A talk at ACS Spring 2025 in San Diego

Visualisation of chemical spaces using CHEESE embeddings.

Fingerprints have long been the standard for representing molecules, but neural network embeddings are opening doors to new possibilities. This post explores where these AI-driven representations excel, from better capturing molecular similarity with metrics to addressing modalities that traditional fingerprints often miss.

A novel approach to virtual screening using 3D shape and electrostatics in a vector space.

A novel approach to virtual screening using 3D shape and electrostatics in a vector space.