Keir Adams
4 papers · 2022–2025 · 1 venue · across top CS/AI venues
Authors are matched by name, so researchers who share a name ("Yang Liu", "Wei Wang") appear as a single profile and their paper counts, venues and achievements are combined. How identity is handled.
Achievements
Jump to papers ↓
🐣
Hot Topic Early Bird
Venues
Top co-authors
Research topics
Keywords
graph neural network
(2)
drug design
(2)
molecular generation
(2)
ensemble learning
(1)
generative model
(1)
diffusion model
(1)
molecular graph
(1)
molecular representation
(1)
molecular property prediction
(1)
3d molecular structure
(1)
molecular shape
(1)
equivariant encoding
(1)
conformer ensemble
(1)
representation learning
(1)
bioisosteric replacement
(1)
contrastive learning
(1)
variational inference
(1)
Papers
ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design
ICLR 2025
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
ICLR 2024
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design
ICLR 2023
Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations
ICLR 2022