Cristian Gabellini

Awesome work from @majhas.bsky.social @nikhilshenoy.bsky.social @jyoonlee.bsky.social @dom-beaini.bsky.social

GitHub - microsoft/mattersim: MatterSim: A deep learning atomistic model across elements, temperatures and pressures. MatterSim: A deep learning atomistic model across elements, temperatures and pressures. - microsoft/mattersim

Excited to talk about MatterGen and MatterSim (now on GitHub!) today at the @cecamevents.bsky.social l workshop at CECAM-HQ in EPFL Lausanne.

If you're interested, drop by at 11.15, or let's chat afterwards.

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github.com/microsoft/ma...
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arxiv.org/abs/2312.03687
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arxiv.org/abs/2405.04967

OpenQDC: Open Quantum Data Commons Machine Learning Interatomic Potentials (MLIPs) are a highly promising alternative to force-fields for molecular dynamics (MD) simulations, offering precise and rapid energy and force calculations. Ho...

Just found out about this super useful effort from @fntwin.bsky.social et al

arxiv.org/abs/2411.19629

A weekend project from a while back -- this little package (with no dependencies) allows you to interact with pymol remotely.

I use it a lot for my protein design workflows together with @biotite.bsky.social.

Just `pip install pymol-remote`

Save the Date: lnkd.in/eXHNYVTN

We are happy to announce the dates for the Free Energy Workshop 2025!

This May 6th to 8th, join us at the Merck Research Laboratory in Boston, MA!

Please fill out the above linked form to register your interest!

#Alchemistry2025 #FEWorkshop2025

Happy Thanksgiving!

We’re cooking up something new for next week… 🦃

Stay tuned: polarishub.io#subscribe-to...

A Night of Science with Recursion, Valence Labs, and NVIDIA @ NeurIPS 2024 · Luma Recursion, Valence Labs, and NVIDIA is thrilled to extend an invitation to researchers, professors, investors, founders, students, and others interested in…

Valence Labs will be co-hosting a TechBio social with
@recursionpharma.bsky.social and NVIDIA at #NeurIPS in Vancouver.

Join us on Thurs, Dec 12th. RSVP here: lu.ma/biikt7ox

Our team will also be at NeurIPS throughout the week. See below for a summary of our papers👇

We curated 40+ quantum mechanics datasets, covering 250+ quantum methods & 1.5B geometries. All of this is easily accessible through the OpenQDC library. 🧵

Harness the power of QM data with a single line of code: www.openqdc.io

Read the blog: www.valencelabs.com/blog-posts/o...