Matthew Evans
@ml-evs.science
Postdoc (UCLouvain & Matgenix) interested in materials discovery and data management for open science, trying my own stuff at https://datalab.industries | https://github.com/ml-evs | https://ml-evs.science
Very happy to put forward our thoughts on how AI/LLMs can enhance chemistry/materials data management & analysis, and what's needed to enable it, to this expansive perspective by Austin Mroz, @jelfschem.bsky.social and many other excellent contributors! doi.org/10.1039/D5CS... #chemsky #matsky
Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry
From accelerating simulations and exploring chemical space, to experimental planning and integrating automation within experimental labs, artificial intelligence (AI) is changing the landscape of chem...
doi.org
May 2, 2025 at 6:04 PM
Very happy to put forward our thoughts on how AI/LLMs can enhance chemistry/materials data management & analysis, and what's needed to enable it, to this expansive perspective by Austin Mroz, @jelfschem.bsky.social and many other excellent contributors! doi.org/10.1039/D5CS... #chemsky #matsky
In sunny Boston for #f24mrs! Just putting the "finishing" touches on my talk from the public library ready for Tuesday at 13:30. Come listen to me talk about OPTIMADE, datalab and their relevance to broadening access to AI in materials research! Proof that at least one slide exists is attached...
December 1, 2024 at 9:27 PM
In sunny Boston for #f24mrs! Just putting the "finishing" touches on my talk from the public library ready for Tuesday at 13:30. Come listen to me talk about OPTIMADE, datalab and their relevance to broadening access to AI in materials research! Proof that at least one slide exists is attached...
Great to see this out with a fantastic set of examples! Our work on an agentic interface for datalab continues at github.com/datalab-org/..., with our "llms.txt" embedded as a Jupyter magic (inspired by langsim and other projects from the paper!)
November 26, 2024 at 10:37 PM
Great to see this out with a fantastic set of examples! Our work on an agentic interface for datalab continues at github.com/datalab-org/..., with our "llms.txt" embedded as a Jupyter magic (inspired by langsim and other projects from the paper!)
#chemsky #matsky #datsky? whatever, just holler if you are interested in chatting about any of this, otherwise this profile will go to the graveyard with twitter/masto
Hi #chemsky/#matsky, I'm a researcher at UCLouvain & Matgenix in Belgium working mostly on open science software for materials discovery and expt. data management. Most of my time is spent developing datalab, though I still work on OPTIMADE and high-throughput DFT+ML.
GitHub - datalab-org/datalab: datalab is a place to store experimental data and the connections between them.
datalab is a place to store experimental data and the connections between them. - datalab-org/datalab
github.com
November 17, 2024 at 5:54 PM
Hi #chemsky/#matsky, I'm a researcher at UCLouvain & Matgenix in Belgium working mostly on open science software for materials discovery and expt. data management. Most of my time is spent developing datalab, though I still work on OPTIMADE and high-throughput DFT+ML.
GitHub - datalab-org/datalab: datalab is a place to store experimental data and the connections between them.
datalab is a place to store experimental data and the connections between them. - datalab-org/datalab
github.com
November 17, 2024 at 5:48 PM
Hi #chemsky/#matsky, I'm a researcher at UCLouvain & Matgenix in Belgium working mostly on open science software for materials discovery and expt. data management. Most of my time is spent developing datalab, though I still work on OPTIMADE and high-throughput DFT+ML.