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The Curious Wavefunction

Computational and medicinal chemist.

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Connecting Codex to Azure compute

A practical, cost-controlled setup for computational chemists and drug discovery scientists

Testing frontier AI models for a fast follower campaign: from target selection to chemical hypotheses

Why the most useful answer was no

A sanity check on AI: Running a bioisostere replacement exercise for a complex macrocycle

A multistep pipeline suggests commonsense, conservative replacements

Running an AI-assisted computational drug repurposing project over a weekend

Computational chemistry just learnt what warp drive speed means

The next frontier for agentic AI - actual science

Discovery will be turbocharged when engineering transforms into science

The AI revolution in drug discovery is not just about speed

It's about creativity

The "AI cured cancer in a dog" story is interesting...

...But perhaps for different reasons

Specialization before generalization

Night thoughts of a technology dabbler

Four Levels of Agentic Intelligence

From tasks to meta through strategic agents

The lever we don't pull hard enough

Why affinity continues to matter