vgsatorras / en_flows
☆60Updated 2 years ago
Alternatives and similar repositories for en_flows:
Users that are interested in en_flows are comparing it to the libraries listed below
- Boltzmann Generators and Normalizing Flows in PyTorch☆159Updated last year
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆128Updated 3 years ago
- ☆33Updated this week
- E(3) Steerable Graph Neural Network☆112Updated 2 years ago
- Codebase for Cormorant Neural Networks☆60Updated 2 years ago
- ☆27Updated 2 years ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆108Updated 3 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆35Updated last year
- ☆21Updated last year
- ☆40Updated 3 years ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆56Updated 8 months ago
- ☆86Updated 3 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆108Updated 3 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆25Updated 10 months ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Updated 5 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆57Updated 3 months ago
- Code for the paper https://arxiv.org/abs/2402.04997☆67Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆93Updated this week
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆30Updated last week
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆45Updated this week
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆206Updated 2 months ago
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆46Updated 2 weeks ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆45Updated last year
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆67Updated 3 years ago
- Tools for building equivariant polynomials on reductive Lie groups.☆29Updated last year
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆16Updated 3 weeks ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆97Updated 4 months ago
- jax library for E3 Equivariant Neural Networks☆198Updated 3 weeks ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆258Updated last year