Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
☆58Mar 26, 2025Updated last year
Alternatives and similar repositories for Variational-Doob
Users that are interested in Variational-Doob are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official JAX implementation of Riemannian Mean Flow for flow map learning on manifolds.☆22Jul 2, 2026Updated 2 weeks ago
- ☆11Aug 30, 2024Updated last year
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- ☆74Feb 13, 2026Updated 5 months ago
- ☆35Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆66Aug 21, 2024Updated last year
- Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.☆68Mar 11, 2024Updated 2 years ago
- Taxonomy of Benchmarks in Graph Representation Learning☆21Dec 1, 2022Updated 3 years ago
- Learning energy decompositions for partial inference in GFlowNets☆16Jun 4, 2024Updated 2 years ago
- Computing the Committor with the Committor: an Anatomy of the Transition State Ensemble☆14Jul 12, 2024Updated 2 years ago
- Graph generation with K2-trees (ICLR 2024)☆12Mar 19, 2024Updated 2 years ago
- An open-source platform for developing protein models beyond AlphaFold.☆11Jul 15, 2025Updated last year
- ☆35Sep 12, 2022Updated 3 years ago
- Julia implementation of flash-attention operation for neural networks.☆11May 31, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles☆20May 16, 2026Updated 2 months ago
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆46Oct 2, 2025Updated 9 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆29Mar 20, 2026Updated 4 months ago
- Monotonic Dense Layer implemented in Keras☆10Apr 14, 2025Updated last year
- ☆14Feb 23, 2025Updated last year
- ☆28Mar 3, 2024Updated 2 years ago
- Implementation of Action Matching☆54Jun 5, 2023Updated 3 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆62Dec 16, 2025Updated 7 months ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- A framework for training energy-based diffusion models for sampling and energy estimation.☆105May 10, 2026Updated 2 months ago
- Structure-based fragment identification in latent space☆31Mar 4, 2026Updated 4 months ago
- ☆32Oct 9, 2025Updated 9 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆30Feb 24, 2025Updated last year
- Fast protein backbone generation with SE(3) flow matching.☆327Jul 19, 2024Updated 2 years ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆293Dec 10, 2024Updated last year
- A repo for transferable sampling of molecular systems☆49Apr 27, 2026Updated 2 months ago
- A Simple and Scalable Representation for Graph Generation (ICLR 2024)☆21Mar 19, 2024Updated 2 years ago
- Coarse-graining potentials from atomistic references made easy☆26Sep 27, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Implementation of methods to sample from Boltzmann distributions☆22Jan 24, 2023Updated 3 years ago
- The Superposition of Diffusion Models Using the Itô Density Estimator☆53Apr 2, 2026Updated 3 months ago
- Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…☆28Sep 19, 2024Updated last year
- ☆21Apr 9, 2024Updated 2 years ago
- ☆14Dec 6, 2021Updated 4 years ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆311Apr 13, 2026Updated 3 months ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year