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Posts by Pavan Behara

Another BeeGFS rant: "whyyyyyyyyyyyyy 😭😭😭"

2 weeks ago 0 0 0 0

πŸ’―

3 weeks ago 1 0 0 0
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Python!! 😑

1 month ago 1 1 0 0

TIL, "malicious Markdown links"

2 months ago 0 0 0 0
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Encountered a chinese captcha tracking an order on china post πŸ˜„

2 months ago 0 0 0 0

The one best thing that happened to Bills in the last decade is undoubtedly Sean McDermott πŸ˜”

3 months ago 0 0 0 0

Narrator: And balance was restored to the universe as the Bills lost in OT again.

3 months ago 0 0 0 0
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Release Sage 2.3.0 Β· 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

3 months ago 13 6 2 0
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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!!!

3 months ago 0 0 0 0
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πŸ€¦β€β™‚οΈ

4 months ago 0 0 0 0
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Okay, he wanted to say "electricity".

5 months ago 0 0 0 0

Altman's alternate universe!!!

5 months ago 1 0 1 0

The Twilight Zone is a refreshing, timeless classic!!

5 months ago 0 0 0 0

This is a great review and the coming together of all forces is amazing!
The opening line πŸ˜ƒ
"It is a truth universally acknowledged that a research group in possession of a good force field must be in want of a benchmark."

5 months ago 2 0 0 0

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!!! ⚾🧒

5 months ago 1 0 0 0

Narrator: That's how Selena Gomez ended up having Oreos in her name.

5 months ago 0 0 0 0
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Achira Building foundation simulation models for drug discovery

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

5 months ago 12 6 1 2
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This conversation is funny and scary at the same time!

5 months ago 1 0 0 0
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2.5.0 Β· alchemistry alchemlyb Β· 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.)

5 months ago 5 3 0 0
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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.....

5 months ago 2 0 0 0
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Alpha version of protein+small molecule FF available Β· openforcefield Β· 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

5 months ago 3 0 0 0

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

6 months ago 0 0 0 0
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openff-interchange/examples at main Β· 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...

6 months ago 3 0 0 0

Lolll

6 months ago 0 0 0 0
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Patriot on prime!!

7 months ago 0 0 0 0
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that looks worse after uploading

7 months ago 1 0 0 0
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on.ft.com/4pjmJH5
gift article link might be limited in number of views, here's a looong screenshot

7 months ago 0 0 1 0

JA in ads, training camp on HBO, among top 3 in ESPN betting odds (above KC 🀭), I think SB this season is definitely ours!!! 😝
#πŸƒπŸˆ

7 months ago 0 0 0 0

"These kids were literally praying."

7 months ago 2 1 0 0

BeeGFS, whyyyyyyyyy are you like this πŸ˜–

7 months ago 0 0 0 0