#ML in computational chemistry: LLMs for stochastic particle ensemble systems modeling

9 messages · Page 1 of 1 (latest)

frail ingot
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Seeking fellow computational chemists/physicists!

I am currently working full-time as an engineer at a major silicon company, so this would be an asynchronously updated weekend project.

The idea is to train an LLM with time series data and let it predict the next time iteration. We're going to basically treat each time iteration as a "word", not actually treating them as numbers . LLMs are notoriously bad at math so we're going to be avoiding that altogether.

This is primarily a self education project and I'm not looking to break new ground or anything, I have a few publications on very similar stuff done before.

Any takers?

grizzled wadi
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I am, yeah, it is really problem of llm. will be glad to connect to researching

keen burrow
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5

frail ingot
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@keen burrow @grizzled wadi

Thanks for the responses. Either of you have a background in computational chemistry or physics?

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(just asking cuz curious)

grizzled wadi
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@frail ingot i havnt

primal root
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Hi I'm Interested. Do you have a read.me for your project? If you do, I could start taking a look into it and see if I'm capable of helping you on your project.

frail ingot
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I'll post when I have something