Nicholas Runcie

AI for Drug discovery | Oxford DPhil student @OPIGlets | Opinions my own

[Nicholas Runcie @NicholasRuncie]

🚀 LLMs can now do chemistry! Our new preprint shows that state-of-the-art reasoning models can now perform advanced chemical reasoning tasks, without any assistance from external tools. Here’s what o3-mini can already do👇 (1/🧵)

[Nicholas Runcie @NicholasRuncie]

@thsottiaux "The model 'gpt-image-2' does not exist." error on codex.

Set goal mode for the night. Good thing I checked my phone one last time before I went to sleep.

@OpenAIDevs

[Nicholas Runcie @NicholasRuncie]

Excited to share our preprint: Molecular Representations for Large Language Models.

We show that LLMs struggle with existing chemical formats, and that our new MolJSON representation substantially improves performance.

[Nicholas Runcie @NicholasRuncie]

@argofowl I thought I was going insane. I turned away for a few minutes and now my goal thread has dissapeared.

[Nicholas Runcie @NicholasRuncie]

25B tokens

If you give me 10x I'll build codex for chemistry @thsottiaux @jxnlco @sama @OpenAIDevs

[Nicholas Runcie @NicholasRuncie]

@thsottiaux For codex Thursday this Friday could we reset rate limits plz

[Broncio Aguilar-Sanjuan @BroncioS]

"Intelligence as a commodity" ~ NR #negroni #applepie

[Nicholas Runcie @NicholasRuncie]

@jakublala No mistakes

[Nicholas Runcie @NicholasRuncie]

@thsottiaux When codex is thinking for ages without giving me updates, is it locked in or just stuck?

[Nicholas Runcie @NicholasRuncie]

@clawdb0t @sama @thsottiaux I’m not experiencing issues. But I’m willing to gaslight @thsottiaux into a reset.

[Nicholas Runcie @NicholasRuncie]

Codex understands Python better than my Scottish accent.

[Nicholas Runcie @NicholasRuncie]

@EmmanuelSimond @thsottiaux I promise my tasks are typically much more complex than this! In this case I was trying to debug codex.

[Nicholas Runcie @NicholasRuncie]

@reach_vb In our research group no one has ever managed to print from their computer. Everyone uses a physical USB. Codex today solved printing in a few minutes and we now have a print skill for the group.

[Nicholas Runcie @NicholasRuncie]

@thsottiaux Plz tell us details if the post mortem is interesting.

[Nicholas Runcie @NicholasRuncie]

@thsottiaux Codex is definitely struggling. Failing to make a simple css edit. Introduced multiple bugs and errors just trying to change the colour of a box :(

[Nicholas Runcie @NicholasRuncie]

@thsottiaux Has this been resolved yet? Something still feels off.

Asked codex to solve a bug and it ended up deleting features rather than solving the root cause.

[Nicholas Runcie @NicholasRuncie]

@mark_k @OpenAI Codex did my weekly shop.

[Nicholas Runcie @NicholasRuncie]

@thsottiaux Codex could anticipate compaction timing better. e.g. I created a spec doc that will take a few minutes to review. Context is ~85% used. Codex could anticipate a delay before next prompt and trigger compaction early, rather than waiting until context fills.

[Nicholas Runcie @NicholasRuncie]

@GJPvWesten Yes I did! Neither were good.

[Nicholas Runcie @NicholasRuncie]

Excited to share our preprint: Molecular Representations for Large Language Models.

We show that LLMs struggle with existing chemical formats, and that our new MolJSON representation substantially improves performance.

[Nicholas Runcie @NicholasRuncie]

MolJSON

[Andrew White 🐦‍⬛ @andrewwhite01]

The names of molecular representations are kind of insane:

IUPAC
SMILES
SELFIES
CHORTLES
CHUCKLES
INChI