one reason i love my job is that to deliver I need to combine rigorous science & solid engineering

You can implement the right method, but one wrong function call can waste effort and $$

And the way to fix these is hypothesis- and data-driven debugging

#ml #compchem

Switching from an afternoon of data typology to mixology

#cheminformatics and #peptide informatics ppl - is anybody aware of open source or commercial tools, other than ChemDraw, that can render HELM strings as connected monomers (ie not the usual atomistic depiction)?

#visualization

For #compchem tweeps, an end of an era - ccl.net will shut down

My first post on the list ~ 27 years ago started me down the path of QM and then comp chem

A sunny sojourn to Scituate and back

There are 2 previous historical cases of countries destroying their science and universities, crippling them for decades: Lysenkoism in the USSR and Nazi Germany. The Trump administration will be the 3rd.
It's not just budgets but research, institutions, expertise, and training the next generation.

As a philosophy major who adored symbolic logic courses, this may be my favorite cartoon ever.

A scone and a metric century to kick of the long weekend.

Weekly rain notwithstanding

#cycling

An opportunity in our group to use physics+math+code to impact molecular design problems across a variety of disease programs

www.linkedin.com/posts/dimita...

#chemjobs #drugdiscovery #compchem

Is anybody talking about the date being the first three primes squared?

2² 3² 5²

4 9 25

some of y'all will read everybody's horoscope w/o any month day year numerology smh!!!

#iTeachMath ♾️🧮 #MathSky

🤣😂 You reminded me of this

#chemjobs

Opportunity for executive director of the Cambridge Crystallographic Data Centre #CCDC (Cambridge UK) closing: 31-Mar-2025 #cheminformatics #DataScience #UKChemJobs #ChemJobs #chemsky 🧪
ccdc.peoplehr.net/Pages/JobBoa...

(paleo)dentistry & linguistics!

www.science.org/content/arti...

I wrote last week urging Pharma CEOs to speak up about the Trump administration. Unfortunately, some of them have.

One way to think about the DOGE effort is it's an outgrowth of 20 years of hardliner conservatives frustrated by their inability to get the votes in Congress to do what they want to do. 1/