plainerman / Variational-Doob
Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
☆49Updated 3 weeks ago
Alternatives and similar repositories for Variational-Doob:
Users that are interested in Variational-Doob are comparing it to the libraries listed below
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- ☆28Updated 2 years ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆60Updated 11 months ago
- ☆34Updated 2 months ago
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆51Updated last week
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆32Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆102Updated last month
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 9 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆21Updated 2 months ago
- A GFlowNet with a chemical synthesis action space.☆48Updated 2 months ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆16Updated 3 weeks ago
- ☆60Updated 3 years ago
- Code for the paper https://arxiv.org/abs/2402.04997☆77Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆46Updated last year
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆70Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆120Updated 5 months ago
- ☆11Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆36Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆58Updated 5 months ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- ☆27Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆41Updated 11 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆52Updated last year
- ☆106Updated 11 months ago
- Flow-matching for coarse graining of miniproteins.☆18Updated 2 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 5 months ago
- PySCF on IPU☆42Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆96Updated 8 months ago
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆69Updated 11 months ago
- ☆40Updated 3 years ago