Pinned Repositories
bcpaff
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
delfta
Δ-QML for medicinal chemistry
dragonfly_gen
De novo drug design with deep interactome learning
kennetyh.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
lsfml
Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
minisci
Identifying opportunities for late-stage C-H alkylation with in silico reaction screening and high-throughput experimentation
seqm_scoring
Combining de novo molecular design with semiempirical protein–ligand binding free energy calculation.
AtomCloudNet
Using translation-, mirror- and rotation-invariant kernels to predict molecular properties
delfta
Δ-QML for medicinal chemistry
atzkenneth's Repositories
atzkenneth/dragonfly_gen
De novo drug design with deep interactome learning
atzkenneth/lsfml
Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
atzkenneth/minisci
Identifying opportunities for late-stage C-H alkylation with in silico reaction screening and high-throughput experimentation
atzkenneth/bcpaff
Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning
atzkenneth/delfta
Δ-QML for medicinal chemistry
atzkenneth/kennetyh.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
atzkenneth/seqm_scoring
Combining de novo molecular design with semiempirical protein–ligand binding free energy calculation.