Pavan Behara
@pavanbehara.bsky.social
Computational chemist, doing CADD @ UCI's Center for Neurotherapeutics. Former chemical engineer turned drug hunter. Buffalonian at heart! Go Bills!!! 🏈
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
The one best thing that happened to Bills in the last decade is undoubtedly Sean McDermott 😔
"It's a significant gamble to fire someone who had the Bills in the divisional round six straight years, but the status quo could not continue. Pegula could not stand back and hope next season ended differently.," Lance Lysowski writes.
Lance Lysowski: Sean McDermott's firing a necessary step for Bills to move forward
"It's a significant gamble to fire someone who had the Bills in the divisional round six straight years, but the status quo could not continue. Pegula could not stand back and hope next season ended differently.," Lance Lysowski writes.
buffalonews.com
January 19, 2026 at 4:27 PM
The one best thing that happened to Bills in the last decade is undoubtedly Sean McDermott 😔
Narrator: And balance was restored to the universe as the Bills lost in OT again.
January 18, 2026 at 3:10 AM
Narrator: And balance was restored to the universe as the Bills lost in OT again.
Reposted by Pavan Behara
We’re pleased to announce the full release of the Sage 2.3.0 force field! This is identical to the previous release candidate Sage 2.3.0rc2. Sage 2.3.0 is the first OpenFF force field to use the AshGC neural network charge model. github.com/openforcefie...
#compchem
#compchem
Release Sage 2.3.0 · openforcefield/openff-forcefields
This release adds openff-2.3.0.offxml and openff_unconstrained-2.3.0.offxml. Sage 2.3.0 is the first OpenFF force field to use the AshGC neural network charge model to assign charges. Both vdW para...
github.com
January 14, 2026 at 1:25 AM
We’re pleased to announce the full release of the Sage 2.3.0 force field! This is identical to the previous release candidate Sage 2.3.0rc2. Sage 2.3.0 is the first OpenFF force field to use the AshGC neural network charge model. github.com/openforcefie...
#compchem
#compchem
JA FTW!!!
a football player with the number 17 on his jersey stands on the field
ALT: a football player with the number 17 on his jersey stands on the field
media.tenor.com
January 11, 2026 at 9:16 PM
JA FTW!!!
🤦♂️
Researchers say Russia-aligned Pravda network is engaging in "LLM grooming", flooding the internet with disinformation to influence chatbots like ChatGPT (Aisha Down/The Guardian)
Main Link | Techmeme Permalink
Main Link | Techmeme Permalink
November 22, 2025 at 3:54 PM
🤦♂️
Altman's alternate universe!!!
November 19, 2025 at 6:25 PM
Altman's alternate universe!!!
The Twilight Zone is a refreshing, timeless classic!!
October 31, 2025 at 1:59 AM
The Twilight Zone is a refreshing, timeless classic!!
This is a great review and the coming together of all forces is amazing!
The opening line 😃
"It is a truth universally acknowledged that a research group in possession of a good force field must be in want of a benchmark."
The opening line 😃
"It is a truth universally acknowledged that a research group in possession of a good force field must be in want of a benchmark."
Excited to be a part of this review paper by Chapin Cavender et al. Now out in LiveCoMS! doi.org/10.33011/liv...
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]
| Living Journal of Computational Molecular Science
doi.org
October 28, 2025 at 9:02 PM
This is a great review and the coming together of all forces is amazing!
The opening line 😃
"It is a truth universally acknowledged that a research group in possession of a good force field must be in want of a benchmark."
The opening line 😃
"It is a truth universally acknowledged that a research group in possession of a good force field must be in want of a benchmark."
Funny thing, Buffalonians support Blue Jays and consider them as their own team. But, I've been in Ohtani's territory for a long time, and he's also #17 like Josh Allen, so I'm picking my team this #Worldseries. Go Dodgers and good luck to the birds!!! ⚾🧢
October 25, 2025 at 1:00 PM
Funny thing, Buffalonians support Blue Jays and consider them as their own team. But, I've been in Ohtani's territory for a long time, and he's also #17 like Josh Allen, so I'm picking my team this #Worldseries. Go Dodgers and good luck to the birds!!! ⚾🧢
Narrator: That's how Selena Gomez ended up having Oreos in her name.
Oreo maker Mondelez has spent $40M+ on an AI tool, developed with Publicis and Accenture, to cut costs for the production of marketing content by 30% to 50% (Jessica DiNapoli/Reuters)
Main Link | Techmeme Permalink
Main Link | Techmeme Permalink
October 25, 2025 at 12:59 AM
Narrator: That's how Selena Gomez ended up having Oreos in her name.
Reposted by Pavan Behara
Achira is growing! We’re looking for talented software engineers, ML research engineers, and AI/ML scientists to join our team in building foundation simulation models to power the future of drug discovery.
Apply at achira.ai
Apply at achira.ai
Achira
Building foundation simulation models for drug discovery
achira.ai
October 24, 2025 at 12:20 PM
Achira is growing! We’re looking for talented software engineers, ML research engineers, and AI/ML scientists to join our team in building foundation simulation models to power the future of drug discovery.
Apply at achira.ai
Apply at achira.ai
This conversation is funny and scary at the same time!
October 24, 2025 at 6:54 AM
This conversation is funny and scary at the same time!
Reposted by Pavan Behara
If you're doing #alchemistry (alchemical free energy calculations) then here's release 2.5.0 of alchemlyb for you. github.com/alchemistry/...
(There's also the alchemlyb @joss-openjournals.bsky.social paper doi.org/10.21105/jos... if you want to read & cite.)
(There's also the alchemlyb @joss-openjournals.bsky.social paper doi.org/10.21105/jos... if you want to read & cite.)
2.5.0 · alchemistry alchemlyb · Discussion #445
New minor release of alchemlyb with fixes and enhancements. Supports Python 3.11 - 3.14. See CHANGES for details. What's Changed update action/checkout by @orbeckst in #417 Parallel read and prepro...
github.com
October 23, 2025 at 5:17 PM
If you're doing #alchemistry (alchemical free energy calculations) then here's release 2.5.0 of alchemlyb for you. github.com/alchemistry/...
(There's also the alchemlyb @joss-openjournals.bsky.social paper doi.org/10.21105/jos... if you want to read & cite.)
(There's also the alchemlyb @joss-openjournals.bsky.social paper doi.org/10.21105/jos... if you want to read & cite.)
Kudos to Chapin Cavender, et al., alpha version of @openforcefield.org 's self-consistent "PROTEIN + SMALL MOLECULE Force Field" is out after rigorous testing!!!
github.com/orgs/openfor...
🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿
#chemsky
github.com/orgs/openfor...
🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿
#chemsky
Alpha version of protein+small molecule FF available · openforcefield · Discussion #56
We’re pleased to announce that we’re making openff_no_water-3.0.0-alpha0, an alpha version of a self consistent SMIRNOFF protein-and-small-molecule FF available. Install openff-forcefields=2025.10....
github.com
October 21, 2025 at 9:33 PM
Kudos to Chapin Cavender, et al., alpha version of @openforcefield.org 's self-consistent "PROTEIN + SMALL MOLECULE Force Field" is out after rigorous testing!!!
github.com/orgs/openfor...
🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿
#chemsky
github.com/orgs/openfor...
🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿🌿
#chemsky
r/LocalLLaMa has some strong opinions and tepid feedback on these 🤫
October 14, 2025 at 8:37 PM
r/LocalLLaMa has some strong opinions and tepid feedback on these 🤫
Lolll
Now this is interesting! Apple does protein structure prediction. macinchem.org/2025/09/24/s...
SimpleFold: Folding Proteins is Simpler than You Think – Macs in Chemistry
macinchem.org
September 25, 2025 at 12:12 AM
Lolll
Patriot on prime!!
September 12, 2025 at 10:42 PM
Patriot on prime!!
Reposted by Pavan Behara
"These kids were literally praying."
Frey: And don't just say, this is about thoughts and prayers right now. These kids were literally praying. It was the first week of school. They were in a church.
August 27, 2025 at 7:52 PM
"These kids were literally praying."
BeeGFS, whyyyyyyyyy are you like this 😖
August 24, 2025 at 3:31 AM
BeeGFS, whyyyyyyyyy are you like this 😖
Reposted by Pavan Behara
New degrader paper using the immunoproteasome. Congrats Cody Loy and Tim Harris!
pubs.acs.org/doi/full/10....
pubs.acs.org/doi/full/10....
Degradation of Abl Utilizing an Immunoproteasome N-Degron Prodrug
Targeted protein degradation is an emerging therapeutic strategy that leverages the cell’s natural protein clearance pathways to eliminate proteins of interest (POIs). One common approach involves bif...
pubs.acs.org
August 20, 2025 at 4:53 PM
New degrader paper using the immunoproteasome. Congrats Cody Loy and Tim Harris!
pubs.acs.org/doi/full/10....
pubs.acs.org/doi/full/10....
Ooofff, hand is swollen after five rounds of bowling, just discovered that Bowlero has an unlimited bowling option 😆
August 21, 2025 at 6:34 AM
Ooofff, hand is swollen after five rounds of bowling, just discovered that Bowlero has an unlimited bowling option 😆
I can't recall where I got it but "aria2c" is a great alternative to "wget".
August 6, 2025 at 6:28 PM
I can't recall where I got it but "aria2c" is a great alternative to "wget".
Who pours liquids into a dustbin, and that's the third bottle in the scene 🤦 #HappyGilmore2
July 31, 2025 at 4:05 AM
Who pours liquids into a dustbin, and that's the third bottle in the scene 🤦 #HappyGilmore2
Reposted by Pavan Behara
My Op-Ed on the U.S-China biotech race is out today in the San Francisco Chronicle. The data speaks for itself, and we need to get our act together to maintain our lead in biotech innovation. www.sfchronicle.com/opinion/open...
The U.S. is losing its biotech edge over China — and that’s bad news for the Bay Area
OPINION: From gene therapies to cancer breakthroughs, California has been the driving force behind America’s biotechnology industry. But today, that edge is slipping.
www.sfchronicle.com
July 21, 2025 at 1:38 PM
My Op-Ed on the U.S-China biotech race is out today in the San Francisco Chronicle. The data speaks for itself, and we need to get our act together to maintain our lead in biotech innovation. www.sfchronicle.com/opinion/open...