Pavan Behara

Python!! 😡

TIL, "malicious Markdown links"

Encountered a chinese captcha tracking an order on china post 😄

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.

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...

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

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

JA FTW!!!

🤦‍♂️

Okay, he wanted to say "electricity".

Altman's alternate universe!!!

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."

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.

Achira Building foundation simulation models for drug discovery

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This conversation is funny and scary at the same time!

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...

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.)

A DNA-encoded chemical library based on chiral 4-amino-proline enables stereospecific isozyme-selective protein recognition - Nature Chemistry The design and construction of a stereo-defined DNA-encoded chemical library, featuring the four different 4-amino-proline stereoisomers as a central scaffold, has now enabled the discovery of potent ...

Love these set of papers on radio ligands from my colleague Gabriele Bassi's work with Philochem, www.nature.com/articles/s41..., pubs.acs.org/doi/10.1021/..., www.sciencedirect.com/science/arti.... And, Paegal Lab has great papers too, www.nature.com/articles/s41..., pubs.acs.org/doi/full/10.....

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....

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

r/LocalLLaMa has some strong opinions and tepid feedback on these 🤫

openff-interchange/examples at main · openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data. - openforcefield/openff-interchange

You can try openff-interchange for small molecules, you can create a system and export to different engines, here are some examples - github.com/openforcefie...

Lolll

Patriot on prime!!

that looks worse after uploading

on.ft.com/4pjmJH5
gift article link might be limited in number of views, here's a looong screenshot

JA in ads, training camp on HBO, among top 3 in ESPN betting odds (above KC 🤭), I think SB this season is definitely ours!!! 😝
#🐃🏈

"These kids were literally praying."

BeeGFS, whyyyyyyyyy are you like this 😖

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...

New degrader paper using the immunoproteasome. Congrats Cody Loy and Tim Harris!
pubs.acs.org/doi/full/10....

Ooofff, hand is swollen after five rounds of bowling, just discovered that Bowlero has an unlimited bowling option 😆