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
