Cristian Gabellini
@fntwin.bsky.social
๐ค 40
๐ฅ 44
๐ 3
Senior Moving Molecules with ML at @Valence Labs
Awesome work from
@majhas.bsky.social
@nikhilshenoy.bsky.social
@jyoonlee.bsky.social
@dom-beaini.bsky.social
add a skeleton here at some point
11 months ago
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Cristian Gabellini
Claudio Zeni
11 months ago
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. ๐ป
github.com/microsoft/ma...
๐
arxiv.org/abs/2312.03687
๐๐
arxiv.org/abs/2405.04967
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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
https://github.com/microsoft/mattersim
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Cristian Gabellini
Guillem Simeon
12 months ago
Just found out about this super useful effort from
@fntwin.bsky.social
et al
arxiv.org/abs/2411.19629
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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...
https://arxiv.org/abs/2411.19629
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Cristian Gabellini
Simon Mathis
12 months ago
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`
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Cristian Gabellini
Free Energy Workshop 2025
12 months ago
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
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Cristian Gabellini
Polaris
12 months ago
Happy Thanksgiving! Weโre cooking up something new for next weekโฆ ๐ฆ Stay tuned:
polarishub.io#subscribe-to...
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Cristian Gabellini
Valence Labs
12 months ago
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 papers๐
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A Night of Science with Recursion, Valence Labs, and NVIDIA @ NeurIPS 2024 ยท Luma
Recursion, Valence Labs, and NVIDIA is thrilled to extend an invitation to researchers, professors, investors, founders, students, and others interested inโฆ
https://lu.ma/biikt7ox
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Cristian Gabellini
Valence Labs
12 months ago
We curated 40+ quantum mechanics datasets, covering 250+ quantum methods & 1.5B geometries. All of this is easily accessible through the OpenQDC library. ๐งต Harness the power of QM data with a single line of code:
www.openqdc.io
Read the blog:
www.valencelabs.com/blog-posts/o...
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over 1 year ago
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