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GitHub topics: equivariant-representations

torchmd/torchmd-net

Training neural network potentials

Language: Python - Size: 179 MB - Last synced at: 2 days ago - Pushed at: 13 days ago - Stars: 396 - Forks: 84

octavian-ganea/equidock_public

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

Language: Roff - Size: 112 MB - Last synced at: 25 days ago - Pushed at: over 1 year ago - Stars: 239 - Forks: 59

Thinklab-SJTU/awesome-molecular-docking

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Size: 86.9 KB - Last synced at: 3 days ago - Pushed at: about 2 years ago - Stars: 100 - Forks: 6

misko/spherical_harmonics_stl

Script to generate STL of spherical harmonics

Language: Python - Size: 0 Bytes - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0

anton-bushuiev/PPIformer

Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)

Language: Jupyter Notebook - Size: 2.16 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 47 - Forks: 4

mgemath/AtiyahBott.jl

An implementation of the Atiyah-Bott formula for the moduli space of genus 0 stable maps.

Language: Julia - Size: 361 KB - Last synced at: 16 days ago - Pushed at: 4 months ago - Stars: 4 - Forks: 2

yuyangw/Denoise-Pretrain-ML-Potential

Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyTorch.

Language: Python - Size: 31.8 MB - Last synced at: 18 days ago - Pushed at: almost 2 years ago - Stars: 13 - Forks: 3

YichengDWu/NeuralGraphPDE.jl

Integrating Neural Ordinary Differential Equations, the Method of Lines, and Graph Neural Networks

Language: Julia - Size: 709 KB - Last synced at: 26 days ago - Pushed at: over 1 year ago - Stars: 18 - Forks: 1

HySonLab/Protein_Pretrain

Multimodal Pretraining for Unsupervised Protein Representation Learning

Language: Python - Size: 241 KB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 12 - Forks: 2

EmreTaha/TC-time_equivariant_disease_progression

TC (MICCAI 2024) official code

Language: Python - Size: 521 KB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 1 - Forks: 0

twmitchel/MobiusConv

Official PyTorch implementation of Möbius Convolutions for Spherical CNNs [SIGGRAPH 2022].

Language: Python - Size: 604 KB - Last synced at: 11 months ago - Pushed at: 11 months ago - Stars: 24 - Forks: 1

HySonLab/EquiMesh

E(3)-Equivariant Mesh Neural Networks (AISTATS 2024)

Language: Python - Size: 29.3 MB - Last synced at: 12 months ago - Pushed at: about 1 year ago - Stars: 7 - Forks: 1

rytse/torchemlp

Torch implementation of Marc Finzi's Equivariant MLP

Language: Python - Size: 1.82 MB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

luka-group/Lattice

[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.

Language: Python - Size: 118 KB - Last synced at: 11 months ago - Pushed at: about 1 year ago - Stars: 50 - Forks: 10

nayeemrizve/invariance-equivariance

"Exploring Complementary Strengths of Invariant and Equivariant Representations for Few-Shot Learning" by Mamshad Nayeem Rizve, Salman Khan, Fahad Shahbaz Khan, Mubarak Shah (CVPR 2021)

Language: Python - Size: 2.09 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 31 - Forks: 12

Related Keywords
equivariant-representations 15 equivariance 4 deep-learning 3 proteins 3 graph-neural-networks 3 pytorch 3 equivariant-network 3 geometric-deep-learning 2 machine-learning 2 protein-protein-interaction 2 julia 2 drug-discovery 2 representation-learning 2 point-cloud 2 transformer 2 molecular-dynamics 2 360-photo 1 oct 1 cnn 1 convolutional-neural-networks 1 mobius-transformation 1 omnidirectional-images 1 miccai2024 1 disease-progression 1 contrastive-learning 1 variational-autoencoder 1 protein-structure 1 protein-sequences 1 pretrained-language-model 1 multimodal-deep-learning 1 large-language-models 1 transfer-learning 1 metric-learning 1 meta-learning 1 invariant-features 1 few-shot-learning 1 table-to-text 1 attention-mechanism 1 symmetry 1 lie-groups 1 lie-algebra 1 equivariant-networks 1 mesh-networks 1 equivariant-graph-neural-network 1 surfaces 1 spherical-panoramas 1 spherical-geometry 1 spherical-cnn 1 siggraph2022 1 siggraph 1 omnidirectional-vision 1 partial-differential-equations 1 optimal-transport 1 molecular-docking 1 generative-model 1 drugai 1 drug-protein-interactions 1 drug-design 1 bioinformatics 1 binding 1 awesome-list 1 awesome 1 ai-aided-drug-discovery 1 graphneuralnetwork 1 geometry 1 drugdiscovery 1 docking 1 deeplearning 1 neural-networks 1 energy-functions 1 gnn 1 self-supervised-learning 1 pytorch-geometric 1 molecular-simulation 1 dgl 1 chemical-physics 1 python3 1 graph-algorithms 1 cohomology 1 algebraic-geometry 1 protein-protein-interactions 1 protein-design 1 stl 1 spherical-harmonics 1 dft 1 3d-printing 1 protein-ligand-docking 1 paper-list 1