plainerman / Variational-DoobLinks
Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
☆49Updated 3 months ago
Alternatives and similar repositories for Variational-Doob
Users that are interested in Variational-Doob are comparing it to the libraries listed below
Sorting:
- 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
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆111Updated this week
- ☆34Updated 5 months ago
- ☆30Updated 2 years ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆12Updated 2 weeks ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆23Updated 4 months ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆131Updated 3 years ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last month
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆36Updated 4 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆147Updated 8 months ago
- ☆60Updated 3 years ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆56Updated last year
- ☆27Updated 3 weeks ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆71Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆63Updated 8 months ago
- E(3) Steerable Graph Neural Network☆119Updated 2 years ago
- Code for the paper https://arxiv.org/abs/2402.04997☆81Updated last year
- A GFlowNet with a chemical synthesis action space.☆76Updated 5 months ago
- ☆27Updated last year
- Boltzmann Generators and Normalizing Flows in PyTorch☆169Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆42Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆40Updated 11 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆30Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆58Updated 3 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 11 months ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Implementation of the Euclidean fast attention (EFA) algorithm☆54Updated this week
- Benchmark for Biophysical Sequence Optimization Algorithms☆18Updated last month