Cristian Gabellini
@fntwin.bsky.social
Senior Moving Molecules with ML at @Valence Labs
Awesome work from @majhas.bsky.social @nikhilshenoy.bsky.social @jyoonlee.bsky.social @dom-beaini.bsky.social
Now you can generate equilibrium conformations for your small molecule in 3 lines of code with ET-Flow! Awesome effort put in by @fntwin.bsky.social!
December 12, 2024 at 4:57 PM
Reposted by Cristian Gabellini
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.
💻
github.com/microsoft/ma...
📄
arxiv.org/abs/2312.03687
📄📄
arxiv.org/abs/2405.04967
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/2405.04967
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
github.com
December 11, 2024 at 6:39 AM
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.
💻
github.com/microsoft/ma...
📄
arxiv.org/abs/2312.03687
📄📄
arxiv.org/abs/2405.04967
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/2405.04967
Reposted by Cristian Gabellini
Just found out about this super useful effort from @fntwin.bsky.social et al
arxiv.org/abs/2411.19629
arxiv.org/abs/2411.19629
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...
arxiv.org
December 2, 2024 at 6:55 PM
Just found out about this super useful effort from @fntwin.bsky.social et al
arxiv.org/abs/2411.19629
arxiv.org/abs/2411.19629
Reposted by Cristian Gabellini
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`
I use it a lot for my protein design workflows together with @biotite.bsky.social.
Just `pip install pymol-remote`
November 25, 2024 at 2:50 PM
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`
I use it a lot for my protein design workflows together with @biotite.bsky.social.
Just `pip install pymol-remote`
Reposted by Cristian Gabellini
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
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
November 29, 2024 at 3:08 PM
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
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
Reposted by Cristian Gabellini
Happy Thanksgiving!
We’re cooking up something new for next week… 🦃
Stay tuned: polarishub.io#subscribe-to...
We’re cooking up something new for next week… 🦃
Stay tuned: polarishub.io#subscribe-to...
November 28, 2024 at 5:00 PM
Happy Thanksgiving!
We’re cooking up something new for next week… 🦃
Stay tuned: polarishub.io#subscribe-to...
We’re cooking up something new for next week… 🦃
Stay tuned: polarishub.io#subscribe-to...
Reposted by Cristian Gabellini
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👇
@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👇
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…
lu.ma
November 27, 2024 at 4:31 PM
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👇
@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👇
Reposted by Cristian Gabellini
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...
Harness the power of QM data with a single line of code: www.openqdc.io
Read the blog: www.valencelabs.com/blog-posts/o...
November 26, 2024 at 3:30 PM
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...
Harness the power of QM data with a single line of code: www.openqdc.io
Read the blog: www.valencelabs.com/blog-posts/o...
