plainerman / Variational-Doob
Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
☆48Updated last week
Alternatives and similar repositories for Variational-Doob:
Users that are interested in Variational-Doob are comparing it to the libraries listed below
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆58Updated 10 months ago
- ☆28Updated 2 years ago
- ☆33Updated last month
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆30Updated last month
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆49Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆98Updated last week
- Code for the paper https://arxiv.org/abs/2402.04997☆74Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆46Updated last year
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆68Updated 10 months ago
- ☆60Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆19Updated last month
- ☆27Updated 2 years ago
- Molecular mechanics systems and simulation data☆16Updated 9 months ago
- ☆27Updated last year
- Benchmark for Biophysical Sequence Optimization Algorithms☆16Updated this week
- A GFlowNet with a chemical synthesis action space.☆47Updated 2 months ago
- [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks☆68Updated last year
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 8 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆118Updated 5 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆36Updated last year
- Flow-matching for coarse graining of miniproteins.☆17Updated 2 years ago
- Implementation of methods to sample from Boltzmann distributions☆19Updated 2 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆130Updated 3 years ago
- Codebase for Cormorant Neural Networks☆60Updated 2 years ago
- Library for training Gaussian Processes on Molecules☆36Updated 3 years ago
- Code for "Biological Sequence Design with GFlowNets", 2022☆73Updated 2 years ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆103Updated 4 months ago
- ☆40Updated 3 years ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆17Updated 2 months ago