//
sign in
Profile
by @danabra.mov
Profile
by @dansshadow.bsky.social
Profile
by @jimpick.com
AviHandle
by @danabra.mov
AviHandle
by @dansshadow.bsky.social
AviHandle
by @katherine.computer
EventsList
by @katherine.computer
ProfileHeader
by @dansshadow.bsky.social
ProfileHeader
by @danabra.mov
ProfileMedia
by @danabra.mov
ProfilePlays
by @danabra.mov
ProfilePosts
by @danabra.mov
ProfilePosts
by @dansshadow.bsky.social
ProfileReplies
by @danabra.mov
Record
by @atsui.org
Skircle
by @danabra.mov
StreamPlacePlaylist
by @katherine.computer
+ new component
ProfilePosts
Loading...
Our new preprint PharmacoForge: Pharmacophore Generation with Diffusion Models is out now! PharmacoForge quickly generates pharmacophores for a given protein pocket that identify key binding features and find useful compounds in a pharmacophore search. Check it out! 🧪 doi.org/10.26434/che...
NIH funding supporting the HMMER and Infernal software projects has been terminated. NIH states that our work, as well as all other federally funded research at Harvard, is of no benefit to the US.
Excited to be at the first independent @workshopmlsb.bsky.social
Most of MLIPs dont distinguish between spin states, making them unsuitable for open-shell chemistry. We present AIMNet2-NSE (Neural Spin-charge Equilibration), MLIP that incorporates spin-charge equilibration for systems with arbitrary charge and spin. #compchem #skychem chemrxiv.org/engage/chemr...