iiinova — where your digital self keeps evolving

xanshuzzah.bsky.social @xanshuzzah.bsky.social · 30/07/2026

Check out the recordings from the MolSSI AI-Assisted Development Best Practices Workshop. Learn how to wield these LLMs safely and effectively to develop alongside it rather than assuming they can do the work. Run by myself, Taylor Barnes, and Sam Ellis. www.youtube.com/playlist?lis...

youtube.com

MolSSI AI-Assisted Development Best Practices Workshop - YouTube

The rapid development of LLMs has dramatically transformed the nature of software development work, allowing researchers and software engineers to produce so...

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Carl T. Bergstrom @carlbergstrom.com · 29/05/2026

Of all the harm this administration has done to US science, today's proposed changes to the way federal grants are awarded and administered is the most damaging yet. The text of the federal register document is impenetrably tedious by design, so here's an excellent summary of what it says.

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Katie Mack @astrokatie.com · 03/04/2026

More context on this #Artemis II image: * This is the night side, lit by moonlight. You can see city lights in Spain & Portugal, & a sliver of day at lower right * The Sun is entirely behind Earth, which makes it a kind of solar eclipse, but w/ Earth doing the eclipsing instead of the Moon: ☀️🌍🚀🌕

A full disc image of Earth, as seen from the Orion Crew Module. The planet is a pale blue, swirling with white clouds and glowing slightly lighter blue in place from reflected light. At lower left, a large brown landmass is Africa, with Spain and Portugal with twinkling lights where the planet curves. At top right, auroras glow in a thin green glow, just barely separated from the planet's surface. Earth is set against the black of space (pic: NASA/R.Wiseman)

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Sheryl Gay Stolberg @sherylnyt.bsky.social · 11/10/2025

BREAKING: Friday night massacre underway at CDC. Doznes of "disease detectives," high-level scientists, entire Washington staff and editors of the MMWR (Morbidity and Mortality Weekly Report) have all been RIFed and received the following notice:

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John Shirley @johnshirley2024.bsky.social · 08/10/2025

"new molecular structures that can trap vast quantities of gas inside, laying the groundwork to potentially suck greenhouse gases out of the atmosphere or harvest moisture from desert environments."

apnews.com

Nobel Prize in chemistry goes to discovery that could trap C02 and bring water to deserts

The Nobel committee said that the three laureates “have developed a new form of molecular architecture.”

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John Chodera @jchodera.bsky.social · 29/09/2025

"If funding isn’t restored soon, Chanda says, promising antivirals will be lost, and the world will be defenseless against the next pandemic." cen.acs.org/pharmaceutic...

cen.acs.org

He was making drugs for the next pandemic. Then the feds canceled his project

Sumit Chanda's search for antivirals is in limbo after NIH halted its pandemic-preparedness program

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OMSF @omsf.io · 28/07/2025

we have a blog - and there's some great stuff on it! check out this post by David Mobley. who knows, maybe we can say bye to aromaticity in our force fields? blog.omsf.io/why-we-shoul...

blog.omsf.io

Why We Should Drop (Graph-based) Bond Order and No Longer Use Aromaticity

Written by: David Mobley, PhD OpenFF force fields assign parameters based on queries operating on the chemical graph for molecules, via the SMARTS language. This language is rather flexible, leaving ...

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Molly White @molly.wiki · 26/06/2025

Federal Housing Finance Agency Director William Pulte: “[I]n keeping with President Trump’s vision to make the United States the crypto capital of the world, today I ordered the Great Fannie Mae and Freddie Mac to prepare their businesses to count cryptocurrency as an asset for a mortgage”.

Order Issuing Directive to Consider Cryptocurrency as an Asset for Single-Family Loans Delivered to Fannie Mae and Freddie Mac WHEREAS, Fannie Mae and Freddie Mac (the Enterprises) maintain a pivotal role in the U.S. housing finance system by providing stability and liquidity to the secondary market for residential mortgages through prudent standards to help ensure sustainable, long-term homeownership. WHEREAS, cryptocurrency is an emerging asset class that may offer an opportunity to build wealth outside of the stock and bond markets. WHEREAS, cryptocurrency has not typically been considered in the mortgage risk assessment process for mortgage loans delivered to the Enterprises, without converting the cryptocurrency to U.S. dollars prior to loan closing. WHEREAS, U.S. Federal Housing FHFA has now determined that the consideration of additional borrower assets in the Enterprises' single-family mortgage loan risk assessments may enable the Enterprises to assess the full spectrum of asset information available for reserves and to facilitate sustainable homeownership to creditworthy borrowers. NOW THEREFORE, U.S. Federal Housing FHFA, as conservator, hereby directs each Enterprise to prepare a proposal for consideration of cryptocurrency as an asset for reserves in their respective single-family mortgage loan risk assessments, without conversion of said cryptocurrency to U.S. dollars. Each Enterprise is directed to consider only cryptocurrency assets that can be evidenced and stored on a U.S.-regulated centralized exchange subject to all applicable laws. Additionally, each Enterprise is directed to consider additional risk mitigants per their own assessment, including adjustments for market volatility and ensuring sufficient risk-based adjustments to the share of reserves comprised of cryptocurrency. Prior to implementing any changes, each Enterprise must submit and receive approval from its Board of Directors prior to submitting to U.S. Federal Housing FHFA for review…

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Brady Johnston @bradyajohnston.bsky.social · 29/04/2025

Okay hear me out, what if building your protein model was a first person horror survival experience?? #MolecularNodes #b3d #GeometryNodes 🧪

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xanshuzzah.bsky.social @xanshuzzah.bsky.social · 23/04/2025

This is dumb. But sure. Let's play. Going to need nationwide: * Stable internet * Power grid to support the servers and training. * Equipment for every student * Training for instructors. All things every elected and supporting Repub have done everything in their power to banish. So. Good luck!

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cortana.SQL @cortanav.bsky.social · 22/04/2025

OH COME ON

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xanshuzzah.bsky.social @xanshuzzah.bsky.social · 19/04/2025

This is outrageously insulting to the entire scientific community. They want to get published? Then do work which stands up to peer review, scrutiny, and reproducibillity!

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xanshuzzah.bsky.social @xanshuzzah.bsky.social · 10/04/2025

What? WHAT?! So scientists are now effectively being thought-police'd. And "official permission" from whom? Whatever Inquisitor has been assigned to oversee them and then punish them if they have the audacity to learn 2=2 because it goes against the Imperial School of We're Right Don't Question Us?

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John Chodera @jchodera.bsky.social · 08/04/2025

WTF

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xanshuzzah.bsky.social @xanshuzzah.bsky.social · 29/03/2025

This is an absolute insane, destructive, and just pointedly cruel act. Not only is this blatant punishment mocking freedom of speech, but it's going to ensure a mass brain drain from our country. No one will want to come here, no on here will want to stay.

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Miles W. Griffis @mileswgriffis.bsky.social · 28/03/2025

🚨 BREAKING: Long COVID research grants rescinded earlier this week have been restored, according to researchers & patient reps. Advocates organized quickly yesterday in response to the news, helping reverse the decision. Exclusive in @thesicktimes.bsky.social thesicktimes.org/2025/03/28/u...

thesicktimes.org

UPDATE: RECOVER Long COVID pathobiology grants restored - The Sick Times

Long COVID research grants from the National Institutes of Health’s RECOVER program will be restored following news stories about their abrupt cancellations and advocacy to restore the funding, accord...

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Ashley Ringer McDonald @aringermcdonald.bsky.social · 27/03/2025

Chemistry faculty: Want to upskill your programming skills and learn to incorporate programming in your curriculum? Apply for our workshop “Empower Your Curriculum with Python” held July 9-10, 2025 at Cal Poly in San Luis Obispo. Find out more and apply by May 15. molssi.org/join-the-act...

molssi.org

The Molecular Sciences Software Institution

This is the official website for MolSSI

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Drugs for Neglected Diseases initiative (DNDi) @dndi.org · 25/03/2025

📢Important announcement! Today, the @asapdiscovery.bsky.social consortium disclosed the structure of our preclinical candidate, ASAP-0017445, a promising broad-spectrum antiviral with potent activity against SARS-CoV2 and other viruses belonging to the same family. (1/10)

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xanshuzzah.bsky.social @xanshuzzah.bsky.social · 24/03/2025

This kind of thing will only result in us coming back in ten years asking "why are so many people worse off? Was there some persistent environmental factors we missed?" Its the lead poisoning problem all over again.

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John Chodera @jchodera.bsky.social · 17/03/2025

"No Student Left Unharmed" is a hell of a policy choice.

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John Chodera @jchodera.bsky.social · 09/03/2025

Front page story of the New York Times: "The Trump administration’s pause on foreign aid has hobbled programs that prevent and snuff out outbreaks around the world...leaving people everywhere more vulnerable to dangerous pathogens. That includes Americans." www.nytimes.com/2025/03/07/h...

nytimes.com

How Foreign Aid Cuts Are Setting the Stage for Disease Outbreaks

Organizations funded by the United States helped keep dangerous pathogens in check around the world. Now many safeguards are gone, and Americans may pay the price.

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Ashley Ringer McDonald @aringermcdonald.bsky.social · 04/03/2025

If you are a grad student or post doc who is planning to apply for the MolSSI Software Fellowship this cycle, I highly recommend attending the info session this Thursday (March 7) from 3-4 pm ET to help you prepare a competitive application. Sign up ⬇️ molssi.typeform.com/to/ADPTw6bc?...

molssi.typeform.com

Software Fellowship Info Session 2025

Turn data collection into an experience with Typeform. Create beautiful online forms, surveys, quizzes, and so much more. Try it for FREE.

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Brandon Friedman @brandonfriedman.bsky.social · 16/02/2025

The entire CDC should walk out over this

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OMSF @omsf.io · 11/02/2025

one of our projects - Open Force Field - is looking for feedback on their Interchange software. this is your chance to influence the development of this killer product. let them know!

docs.google.com

Interchange Stakeholder Survey

The OpenFF Infrastructure team is preparing to make a 1.0 release of Interchange and a roadmap that describes major project objectives leading up to and following the milestone. We want to hear from u...

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Open Free Energy @openfree.energy · 04/02/2025

We're changing the field of #compchem by creating free and open-source software for performing alchemical free energy calculations. Our flagship protocol calculates relative binding free energies of protein-ligand systems. Try it out in your browser: colab.research.google.com/github/OpenF...

Artistic rendering of a biochemical model: a small molecule ligand, shown as a ball-and-stick model colored by element, is bound in a pocket in a protein surface, shown as a space filling model colored off-white.

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Ned Batchelder @nedbat.com · 28/01/2025

Python 1.0.0, released 31 years ago today: groups.google.com/g/comp.lang.... --> Tired of decyphering the Perl code you wrote last week? --> Frustrated with Bourne shell syntax? --> Spent too much time staring at core dumps lately? Maybe you should try Python!

groups.google.com

Python 1.0.0 is out!

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Katie Mack @astrokatie.com · 28/01/2025

“researchers suspect [the grant review freeze] may be related to President Trump's targeting of diversity, equity and inclusion initiatives. NSF reviews grant applications based on two criteria: intellectual merit and broader impacts” www.npr.org/sections/sho... 🧪

npr.org

National Science Foundation freezes grant review in response to Trump executive orders

The National Science Foundation has canceled all grant review panels this week. It's unclear how long the pause could last.

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