Generative modeling of molecular dynamics trajectories
☆207Mar 22, 2026Updated 3 weeks 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☆521Mar 22, 2026Updated 3 weeks ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆281Dec 10, 2024Updated last year
- Benchmarking code accompanying the release of `bioemu`☆57Nov 25, 2025Updated 4 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆37Jul 22, 2025Updated 8 months ago
- ☆20Oct 3, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆58Dec 16, 2025Updated 3 months ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆785Updated this week
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated last month
- Implementation for SE(3) diffusion model with application to protein backbone generation☆418Jul 3, 2023Updated 2 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆60Aug 21, 2024Updated last year
- AI-powered ab initio biomolecular dynamics simulation☆573Feb 18, 2025Updated last year
- ☆243Feb 12, 2026Updated 2 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆22Oct 31, 2025Updated 5 months ago
- Deep generative modeling of protein structural ensembles☆37Sep 22, 2025Updated 6 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆76Feb 24, 2025Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆62Apr 6, 2026Updated last week
- Fast protein backbone generation with SE(3) flow matching.☆322Jul 19, 2024Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Oct 28, 2023Updated 2 years ago
- Generate intrinsically disordered peptide conformations via machine learning☆26May 26, 2024Updated last year
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆190Jun 24, 2024Updated last year
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆122May 27, 2025Updated 10 months ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 8 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆58Jan 28, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A generative model for programmable protein design☆809Apr 11, 2024Updated 2 years ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆138Nov 11, 2025Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆118Oct 30, 2024Updated last year
- [ICML 25] We train and evaluate SAEs to identify interpretable features in pLMs and show their potential for scientific discovery.☆126Jan 16, 2026Updated 2 months ago
- ☆29Oct 7, 2024Updated last year
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆250Jul 24, 2025Updated 8 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆1,794Updated this week
- AlphaFold version that is extended to integrate diversity parameters for massive sampling.☆17Mar 18, 2026Updated 3 weeks ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆328Oct 6, 2025Updated 6 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆286Apr 4, 2026Updated last week
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- Diffusion-based all-atom protein generative model.☆234Aug 27, 2025Updated 7 months ago
- Chai-1, SOTA model for biomolecular structure prediction☆1,913Updated this week
- Fast deep learning methods for large-scale protein-protein interaction screening☆125Aug 3, 2025Updated 8 months ago
- RoseTTAFold2 protein/nucleic acid complex prediction☆380Jun 3, 2024Updated last year
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆90Dec 4, 2023Updated 2 years ago