noegroup / rigid-flowsLinks
☆11Updated last year
Alternatives and similar repositories for rigid-flows
Users that are interested in rigid-flows are comparing it to the libraries listed below
Sorting:
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆36Updated 3 months ago
- Steerable E(3) GNN in jax☆24Updated last year
- ☆30Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆23Updated 4 months ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 4 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated 3 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆55Updated this week
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last month
- Tools for building equivariant polynomials on reductive Lie groups.☆32Updated last year
- ☆16Updated last month
- 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
- Molecular mechanics systems and simulation data☆16Updated last year
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆37Updated 4 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆49Updated 2 years ago
- Deep Coarse-grained Potentials via Relative Entropy Minimization☆15Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆30Updated last year
- ☆34Updated 4 months ago
- ☆40Updated 3 years ago
- Robust NN MD simulator☆20Updated last year
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆15Updated 2 months ago
- ☆22Updated last month
- ☆20Updated 2 weeks ago
- A modular framework for neural networks with Euclidean symmetry☆11Updated 11 months ago
- A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Bou…☆22Updated 2 years ago
- Implementation of various equivariant models in JAX☆12Updated last year
- ☆26Updated last week
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Updated 2 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆39Updated last year