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Adrian Mirza

@adrian-mirza.bsky.social

125 followers 47 following 1 posts

PhD student in Digital Chemistry at HIPOLE Jena

Posts Replies Media

Reposted by Adrian Mirza

Rostislav Fedorov @chemwedding.bsky.social · 16/07/2026

Together with @adrian-mirza.bsky.social and @kjablonka.com at @jablonkagroup.bsky.social, we built OpenClatura: an open-source tool for rule-based, inspectable structure2name conversion. Install it with: pip install openclatura GitHub: github.com/lamalab-org/... Preprint: doi.org/10.26434/che...

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Reposted by Adrian Mirza

Günter Klambauer @gklambauer.bsky.social · 12/12/2024

Elucidating structures from spectra using multimodal embeddings and discrete optimization Representations of NMR spectra contrasted against molecular graph representations. Contrastive learning used for learned database look-up -- nice! P: chemrxiv.org/engage/chemr...

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Reposted by Adrian Mirza

Kevin Jablonka @kjablonka.com · 27/11/2024

Our multimodal follow-up to ChemBench. Our team went to the lab to create images to challenge leading vision language models. Check the paper arxiv.org/abs/2411.16955 to learn more.

arxiv.org

Probing the limitations of multimodal language models for chemistry and materials research

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to...

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Reposted by Adrian Mirza

Kevin Jablonka @kjablonka.com · 23/11/2024

Chemists often combine many different techniques to elucidate structures. Adrian has been building a system that mimics this using models and genetic algorithms.

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