6 results found Sort:

torchmd
torchmd-net torchmd
76
342
mit
10
Training neural network potentials
transformer neural-networks energy-functions molecular-dynamics equivariant-representations
Created 2021-04-09
1,293 commits to main branch, last one 18 days ago
octavian-ganea
equidock_public octavian-ganea
58
234
mit
8
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
docking geometry proteins deeplearning equivariance drugdiscovery drug-discovery graphneuralnetwork equivariant-network equivariant-representations protein-protein-interaction
Created 2022-02-04
20 commits to main branch, last one 2 years ago
Thinklab-SJTU
awesome-molecular-docking Thinklab-SJTU
6
96
mit
3
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
drugai awesome binding paper-list drug-design awesome-list deep-learning bioinformatics drug-discovery generative-model machine-learning molecular-docking optimal-transport molecular-dynamics protein-ligand-docking ai-aided-drug-discovery geometric-deep-learning drug-protein-interactions equivariant-representations protein-protein-interaction
Created 2022-12-10
34 commits to main branch, last one about a year ago
luka-group
Lattice luka-group
10
56
apache-2.0
4
[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.
transformer equivariance table-to-text attention-mechanism equivariant-network equivariant-representations
Created 2022-04-25
16 commits to main branch, last one 8 months ago
anton-bushuiev
PPIformer anton-bushuiev
4
47
mit
5
Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
proteins protein-design machine-learning equivariant-representations protein-protein-interactions
Created 2023-10-05
27 commits to main branch, last one about a month ago
nayeemrizve
invariance-equivariance nayeemrizve
11
37
mit
3
"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)
pytorch deep-learning meta-learning metric-learning few-shot-learning transfer-learning invariant-features representation-learning equivariant-representations
Created 2021-03-10
68 commits to main branch, last one about a year ago