geometric-deep-learning topic

Library to make any existing neural network architecture equivariant

arnab39

Official implementation of E(n)-equivariant Graph Neural Cellular Automata

gengala

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

atomicarchitects

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

atomicarchitects

Spectral Framework For AI Model Evaluation

mims-harvard

Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"

zaixizhang

Implementation of PocketGen: Generating Full-Atom Ligand-Binding Protein Pockets

zaixizhang

Papers about Structure-based Drug Design (SBDD)

zaixizhang

Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

zaixizhang

[ICML 2023 Oral] Official environments and implementations for "Subequivariant Graph Reinforcement Learning in 3D Environments"

alpc91