Victoria Gil
@mvictoriagil.bsky.social
๐ค 12
๐ฅ 26
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Energy Proceses and Emission Reduction (PrEM) Group at CSIC-INCAR
reposted by
Victoria Gil
Andres M Bran
10 months ago
LLMs are pretty bad at writing molecules, but quite good at analyzing mols and reactions! In our new work we use LLMs+search in chemical tasks, unlocking steerable synth. planning and mechanism prediction ๐ Chehck out the paper ๐
arxiv.org/abs/2503.08537
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reposted by
Victoria Gil
Chemical Society Reviews
10 months ago
From
@kjablonka.com
,
@mvictoriagil.bsky.social
,
@pepe-marquez.bsky.social
and colleagues. 'From text to insight: large language models for chemical data extraction'
#OpenAccess
๐
pubs.rsc.org/en/content/a...
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From text to insight: large language models for chemical data extraction
The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on m...
https://pubs.rsc.org/en/content/articlelanding/2025/cs/d4cs00913d
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reposted by
Victoria Gil
Pepe Mรกrquez
about 1 year ago
Our data extraction tutorial is now online in Chem. Soc. Rev. The notebooks can be run using the
#jupyter4nfdi
service from
#base4nfdi
. ๐ Paper:
pubs.rsc.org/en/content/a...
๐ป JupyterHub:
t1p.de/matextract-cpu
๐ Online book:
matextract.pub
๐ฝ๏ธ intro from
@kjablonka.com
! ๐
add a skeleton here at some point
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reposted by
Victoria Gil
Kevin Jablonka
about 1 year ago
๐ ๐ผ A small early Christmas present from our team. To celebrate the publication of our data extraction tutorial in Chem Soc Rev, we made it easy to run it โ without any installation โ on a JupyterHub of the Base4NFDI. ๐ฅ Video intro to the JupyterHub deployment:
youtu.be/l-5QNUo1fcU
loading . . .
From text to insight: large language models for chemical data extraction
The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on m...
https://pubs.rsc.org/en/content/articlelanding/2025/cs/d4cs00913d
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