lollcat / se3-augmented-coupling-flowsLinks
SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.
☆24Updated last year
Alternatives and similar repositories for se3-augmented-coupling-flows
Users that are interested in se3-augmented-coupling-flows are comparing it to the libraries listed below
Sorting:
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated 2 months ago
- ☆28Updated 2 years ago
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆35Updated 3 months ago
- ☆11Updated 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
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆21Updated 3 months ago
- Steerable E(3) GNN in jax☆24Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆39Updated last year
- ☆40Updated 3 years ago
- Tools for building equivariant polynomials on reductive Lie groups.☆32Updated last year
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last week
- ☆59Updated 3 years ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆31Updated 11 months ago
- Equivariant machine learning interatomic potentials in JAX.☆72Updated last month
- Molecular mechanics systems and simulation data☆16Updated last year
- Code used by the "Clifford Group Equivariant Neural Networks" paper.☆83Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆61Updated 7 months ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆17Updated 4 months ago
- PySCF on IPU☆42Updated last year
- Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.☆58Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆107Updated last month
- ☆51Updated 2 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆53Updated 9 months ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆17Updated last year
- Differentiable molecular simulation of proteins with a coarse-grained potential☆55Updated 2 months ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆71Updated last year
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆131Updated 3 years ago
- Geometric super-resolution for molecular geometries☆40Updated 2 years ago
- Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.☆82Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆48Updated last year