Generative modeling of molecular dynamics trajectories
☆229Mar 22, 2026Updated 6 months ago
Alternatives and similar repositories for mdgen
Users that are interested in mdgen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆547Mar 22, 2026Updated 6 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆65Dec 16, 2025Updated 9 months ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆300Dec 10, 2024Updated last year
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆888Updated this week
- [Neurips 2025] Official Implementation of ConfRover models☆32Feb 3, 2026Updated 8 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- code for SeqDance/ESMDance, biophysics-informed protein language models☆65Jan 28, 2026Updated 8 months ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆90Sep 12, 2024Updated 2 years ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆278Jul 24, 2025Updated last year
- Implementation for SE(3) diffusion model with application to protein backbone generation☆425Jul 3, 2023Updated 3 years ago
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆87Oct 2, 2026Updated last week
- AI-powered ab initio biomolecular dynamics simulation☆582Feb 18, 2025Updated last year
- Fast protein backbone generation with SE(3) flow matching.☆329Jul 19, 2024Updated 2 years ago
- ☆157May 18, 2026Updated 4 months ago
- ☆33Apr 16, 2026Updated 5 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Deep generative modeling of protein structural ensembles☆41May 27, 2026Updated 4 months ago
- Benchmarking code accompanying the release of `bioemu`☆66Aug 19, 2026Updated last month
- ☆20Oct 3, 2024Updated 2 years ago
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆86May 27, 2026Updated 4 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,069Sep 21, 2026Updated 3 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆147Feb 1, 2026Updated 8 months ago
- Profluent-E1 family of Protein Encoder Models☆115Mar 11, 2026Updated 7 months ago
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆59Jul 22, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Sidechain conditioning and modeling for full-atom protein sequence design☆151Nov 11, 2025Updated 11 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆40Jul 22, 2025Updated last year
- Generative model for protein binder design for protein and small molecule targets. Combines a pretrained flow-based generative model (bui…☆451Updated this week
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆279Apr 27, 2025Updated last year
- ☆103Updated this week
- ESMDynamic repo☆37Jun 26, 2026Updated 3 months ago
- A framework for training energy-based diffusion models for sampling and energy estimation.☆111May 10, 2026Updated 5 months ago
- Genie 3 is a fast, all-atom SE(3)-equivariant diffusion model for protein design. It achieves state-of-the-art performance on uncondition…☆138Updated this week
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆126May 27, 2025Updated last year
- 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.
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- ☆34Dec 6, 2025Updated 10 months ago
- Diffusion model based protein-ligand flexible docking method☆121Oct 30, 2024Updated last year
- ☆258Sep 22, 2026Updated 2 weeks ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆24Oct 31, 2025Updated 11 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated last year
- A generative model for programmable protein design☆834Apr 11, 2024Updated 2 years ago