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Making Claude a Chemist

anthropic.com

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Re: Making Claude a Chemist

#31

Post by FailMore »

smj-edison wrote: post #18

I feel like chemistry is one thing that current models will struggle with for the next while, because it's inherently 3D. In the micro world, shape = function. Maybe enough textual patterns will let it under chemistry, but like how do you describe a hydrogen shift without showing how it moves positions and rebalances bonds?

I think this is a very interesting concept/question. I feel like programming is more about shapes than anything else… but they seem to have mastered that fairly easily… but I totally get your point!

Re: Making Claude a Chemist

#32

Post by MiracleRabbit »

echelon_musk wrote: post #30
MiracleRabbit wrote: post #23

Earlier quoted context omitted.

I just wait until a Opensource model inhaled all the chemistry books and papers. Lol. They are following closely and the best offer 80-90% of the performance and come with a very small fraction of the costs.

Why wouldn't the US gov. outlaw the open source models?

Streisand effect

Deepseek.v4.Pro.RePacked.LLMBoyz.part1.zstd

Re: Making Claude a Chemist

#33

Post by gilleain »

ElFitz wrote: post #20
gopalv wrote: post #6

The non-professional side of Organic Chemistry is one place where I think AI would really shine. Feels complex like solving a Rubik's cube to write down synthesis steps but it is all a sequence of memorized tricks. Do Cannizaro if you want this, Bergmann to do that. But the synthesis plan is only 10% of the actual work. The gap between writing down the synthesis step and actually doing it is also extremely large. Eve…

> Feels complex like solving a Rubik's cube to write down synthesis steps but it is all a sequence of memorized tricks. Do Cannizaro if you want this, Bergmann to do that. I remember two years ago, when I actually got into using graph data structures, wondering if maybe the "space" of available reactions for any given starter and target molecules could be mapped as a graph, with intermediates as nodes and reactions a…

There is a lot of graph theory in Chemistry - modelling chemicals as (vertex/edge coloured) graphs, reaction networks, etc.

Of course some molecules (eg aromatic systems, like ferrocene) are not naturally representable as graphs. I wonder if it is the same with synthesis - are there reactions hard to model as a graph (or petri net or whatever). One simple example I know is that you have to be careful with including a node for 'water' as it gets connected to everything else! Or at least in biochemistry it does.

Re: Making Claude a Chemist

#34

Post by johncole »

smj-edison wrote: post #18

I feel like chemistry is one thing that current models will struggle with for the next while, because it's inherently 3D. In the micro world, shape = function. Maybe enough textual patterns will let it under chemistry, but like how do you describe a hydrogen shift without showing how it moves positions and rebalances bonds?

Agree here, chem may be more complex than language, and not as definable as language. I think this is the realm that physical ai will overlap with.

Re: Making Claude a Chemist

#36

Post by UltraSane »

andai wrote: post #21

If they succeed here, won't they have to gate access to this feature, too? For the same reasons as, "if I so much as mention mitochondria, it downgrades me to Opus." Step 1. Make it so Claude can do anything — the whole point of AGI Step 2. Wait, if the user can do Anything, that would be Very Bad! Step 3. Err on the safe side with blanket bans of entire fields The latter actually seems to me a sensible reaction to e…

Fable wouldn't even explain what an amino acid is.

Re: Making Claude a Chemist

#37

Post by UltraSane »

echelon_musk wrote: post #30
MiracleRabbit wrote: post #23

Earlier quoted context omitted.

I just wait until a Opensource model inhaled all the chemistry books and papers. Lol. They are following closely and the best offer 80-90% of the performance and come with a very small fraction of the costs.

Why wouldn't the US gov. outlaw the open source models?

Much harder to ban if they can run locally
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