David Slochower
drslochower.bsky.social
David Slochower
@drslochower.bsky.social
Computational chemistry at Vertex in San Diego 👨‍💻
I think I stayed in almost exactly the same room once.
November 29, 2024 at 4:21 PM
I think even 10x is a lot in design cycles. If you can do fixed-charge simulations in a few days to drive work, waiting 1-2 weeks is a noticable slowdown.
November 23, 2024 at 3:54 PM
Just record the talk on VHS and play it at FRD. Sit in the audience and take questions only.
November 6, 2024 at 3:11 PM
There is an option to export the data tables as dat files and then you can plot yourself. I’m not sure exactly how they are rendering the plots. Probably matplotlib.
August 22, 2024 at 8:48 PM
We sometimes use Desmond and look at the automated interaction report.
August 22, 2024 at 2:55 AM
I interpret the y-axis as referring to the quantity on the ordinate axis and not with a specific intercept (like x=0).
March 27, 2024 at 4:46 PM
Okay, that wasn’t what I was expecting.
November 3, 2023 at 3:24 AM
As in, someone wrote something on the wrapper or…?
November 2, 2023 at 9:48 PM