Statistics for topic geometric-deep-learning

Graph Neural Network Library for PyTorch

A library for differentiable robotics.

Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

A library for differentiable robotics.

Graph Neural Network Library for PyTorch

StellarGraph - Machine Learning on Graphs

Graph Neural Network Library for PyTorch

Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

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

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

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

Papers about Structure-based Drug Design (SBDD)

A curated list of topological deep learning (TDL) resources and links.

Graph Neural Network Library for PyTorch

Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

A library for differentiable robotics.

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

SPECTRA: Spectral framework for evaluation of biomedical AI models

[TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design

Geometric deep learning of protein–DNA binding specificity

[ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products"

Library to make any existing neural network architecture equivariant

ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

SPECTRA: Spectral framework for evaluation of biomedical AI models

MaSIF-neosurf: surface-based protein design for ternary complexes.

Graph Neural Network Library for PyTorch

Drench yourself in Deep Learning, Reinforcement Learning, Machine Learning, Computer Vision, and NLP by learning from these exciting lectures!!

A library for differentiable robotics.

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

StellarGraph - Machine Learning on Graphs

Geometric deep learning of protein–DNA binding specificity

ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics

Official PyTorch and JAX Implementation of "Harmonics of Learning: Universal Fourier Features Emerge in Invariant Networks"

Papers about Structure-based Drug Design (SBDD)

Contextual AI models for single-cell protein biology