blondegeek / e3nnLinks
A modular framework for neural networks with Euclidean symmetry
☆11Updated last year
Alternatives and similar repositories for e3nn
Users that are interested in e3nn are comparing it to the libraries listed below
Sorting:
- ☆40Updated 3 years ago
- Chroma Protein Diffusion Model☆10Updated last year
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆62Updated last year
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆30Updated 2 years ago
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆51Updated last year
- Massively-Parallel Natural Extension of Reference Frame☆31Updated 2 years ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- Codebase for Cormorant Neural Networks☆60Updated 3 years ago
- ☆63Updated 6 years ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated 3 months ago
- Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules☆59Updated 4 years ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆72Updated 4 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆131Updated 3 years ago
- Learning protein structure with a differentiable simulator☆27Updated 6 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- An experimental repo for experimenting with PyTorch models☆36Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- Bayesian Illumination is an accelerated generative model for optimization of small molecules.☆17Updated last month
- Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pyt…☆74Updated 4 years ago
- ☆29Updated 2 months ago
- Differentiable molecular simulation of proteins with a coarse-grained potential☆56Updated 3 months ago
- Deep Supervised Graph Partitioning Model☆14Updated 3 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆93Updated 3 years ago
- ☆30Updated 2 years ago
- Generative model for molecular distance geometry☆39Updated 2 years ago
- ☆74Updated 2 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Updated 2 years ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆72Updated last year
- Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation☆121Updated 2 years ago