Rajarshi Guha (@rguha.bsky.social)

Switching from an afternoon of data typology to mixology

everyone always asks who/what is adam. never how is adam

a core tension in applying "virtual cell" models to therapeutic development is the mismatch between the scale at which we measure biology and the scale at which we intervene. we often measure at the cell level (eg single-cell RNA-seq), but we treat at the tissue or organ level…

Where are you mentally?

#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

"Milestones in cheminformatics" jcheminf.biomedcentral.com/articles/10.11…

Don't leave AI to the STEM folks. They are often far worse at getting AI to do stuff than those with a liberal arts or social science bent. LLMs are built from the vast corpus human expression, and knowing the history & obscure corners of human works lets you do far more with AI

Breaking News: The EPA said it would eliminate its scientific research arm and begin firing hundreds of scientists, after denying that it intended to do so. nyti.ms/4500xIU

And one for the ride back home to decompress from an intense and invigorating CADD GRC

Cats Achilles heel are boxes

An excellent opportunity to help direct the #cheminformatics field

is this how small molecules bind? 😼

this book taught me more about real design thinking than my 2 year industrial design masters program. it rewired how i saw doors, buttons, systems, everything. now i build digital interfaces, and it still shapes how i think. one of the most high signal books i’ve ever read.

Coastal rides are the best rides. A glorious day on the #cycle

Unless and until agents really do work at expert level, the benefits of AI use are going to be contingent on the skills of the AI user, the jagged abilities of the AI you use, the process into which you integrate use, the experience you have with the AI system & the task itself

2035: All scientific thinking is done by agentic AI but labs are not yet fully automated The last postdoc on earth is paid $55k a year to generate the global supply of cell culture data by hand 100,000 papers are AI-generated about each new datapoint The h-index singularity

The safest drivers are people who frequently walk. The next safest drivers are people who frequently ride bikes.

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