conftrace_

small molecule

2 papers

Explore in graph

Co-occurring keywords · papers mentioning both

3d molecular interaction (1) proteins (1) rna/dna (1) small molecule drug discovery (1) geometric graph (1) benchmarking framework (1) equivariant transformer (1) molecular property prediction (1) molecule property prediction (1) dataset curation (1)

Papers

Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning ICML 2024 WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking NeurIPS 2024