equivariant-representations

There are 1 repository under equivariant-representations topic.

torchmd / torchmd-net
Training neural network potentials
molecular-dynamics energy-functions neural-networks equivariant-representations transformer
Language:Python 311
octavian-ganea / equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
geometry proteins protein-protein-interaction docking graphneuralnetwork deeplearning equivariant-network equivariance equivariant-representations drugdiscovery drug-discovery
Language:Roff 229
awesome-molecular-docking
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.
ai-aided-drug-discovery awesome drug-discovery molecular-docking paper-list bioinformatics machine-learning protein-protein-interaction molecular-dynamics binding generative-model drug-design equivariant-representations drug-protein-interactions geometric-deep-learning awesome-list deep-learning optimal-transport protein-ligand-docking drugai
90
luka-group / Lattice
[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
attention-mechanism equivariance equivariant-network equivariant-representations table-to-text transformer
Language:Python 53
anton-bushuiev / PPIformer
Learning to design protein-protein interactions with enhanced generalization (ICLR24)
equivariant-representations machine-learning protein-design protein-protein-interactions proteins
Language:Jupyter Notebook 41
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)
few-shot-learning equivariant-representations invariant-features meta-learning metric-learning pytorch deep-learning transfer-learning representation-learning
Language:Python 37
MobiusConv
twmitchel / MobiusConv
Official PyTorch implementation of Möbius Convolutions for Spherical CNNs [SIGGRAPH 2022].
cnn convolutional-neural-networks equivariance spherical-cnn surfaces 360-photo equivariant-network equivariant-representations mobius-transformation omnidirectional-images omnidirectional-vision pytorch siggraph siggraph2022 spherical-geometry spherical-panoramas
Language:Python 26
YichengDWu / NeuralGraphPDE.jl
Integrating Neural Ordinary Differential Equations, the Method of Lines, and Graph Neural Networks
gnn deep-learning equivariant-representations graph-neural-networks julia partial-differential-equations
Language:Julia 17
HySonLab / Protein_Pretrain
Multimodal Pretraining for Unsupervised Protein Representation Learning
equivariant-representations graph-neural-networks large-language-models multimodal-deep-learning point-cloud pretrained-language-model protein-sequences protein-structure proteins variational-autoencoder
Language:Python 15
yuyangw / Denoise-Pretrain-ML-Potential
Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyTorch.
chemical-physics dgl equivariant-representations graph-neural-networks molecular-simulation pytorch pytorch-geometric self-supervised-learning
Language:Python 11
HySonLab / EquiMesh
E(3)-Equivariant Mesh Neural Networks (AISTATS 2024)
equivariant-graph-neural-network equivariant-representations mesh-networks point-cloud
Language:Python 7
mgemath / AtiyahBott.jl
An implementation of the Atiyah-Bott formula for the moduli space of genus 0 stable maps.
algebraic-geometry graph-algorithms equivariant-representations cohomology python3 julia
Language:Julia 4
Linxyhaha / EQUAL
Implementation of paper: Equivariant Learning for Out-of-Distribution Cold-start Recommendation. (backbone model CLCRec) (MM'23)
cold-start distribution-shift equivariant-representations pytorch recommender-system
Language:Python 2
EmreTaha / TC-time_equivariant_disease_progression
TC (MICCAI 2024) official code
disease-progression equivariant-representations miccai2024 oct representation-learning contrastive-learning
Language:Python 1
rytse / torchemlp
Torch implementation of Marc Finzi's Equivariant MLP
equivariant-networks equivariant-representations geometric-deep-learning lie-algebra lie-groups symmetry
Language:Python 0
aryafarkhondeh / SwAT
Official Implementation of "Towards Self-Supervised Gaze Estimation"
facial-features gaze-estimation self-supervised-learning equivariant-representations