Cristian Gabellini @fntwin.bsky.social · 12/12/2024Awesome work from @majhas.bsky.social @nikhilshenoy.bsky.social @jyoonlee.bsky.social @dom-beaini.bsky.social 020
Reposted by Cristian Gabellini Claudio Zeni @claudiozeni.bsky.social · 11/12/2024Excited 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. 💻 github.com/microsoft/ma... 📄 arxiv.org/abs/2312.03687 📄📄 arxiv.org/abs/2405.04967github.comGitHub - 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 1196
Reposted by Cristian Gabellini Guillem Simeon @guillemsimeon.bsky.social · 02/12/2024Just found out about this super useful effort from @fntwin.bsky.social et al arxiv.org/abs/2411.19629arxiv.orgOpenQDC: Open Quantum Data CommonsMachine 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... 041
Reposted by Cristian Gabellini Simon Mathis @simonmathis.bsky.social · 25/11/2024A 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` 44713
Reposted by Cristian Gabellini Free Energy Workshop 2025 @feworkshop.bsky.social · 29/11/2024Save 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 0155
Reposted by Cristian Gabellini Polaris @polarishub.io · 28/11/2024Happy Thanksgiving! We’re cooking up something new for next week… 🦃 Stay tuned: polarishub.io#subscribe-to... 011
Reposted by Cristian Gabellini Valence Labs @valenceai.bsky.social · 27/11/2024Valence 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👇lu.maA Night of Science with Recursion, Valence Labs, and NVIDIA @ NeurIPS 2024 · LumaRecursion, Valence Labs, and NVIDIA is thrilled to extend an invitation to researchers, professors, investors, founders, students, and others interested in… 1157
Reposted by Cristian Gabellini Valence Labs @valenceai.bsky.social · 26/11/2024We 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... 1277
