Generate intrinsically disordered peptide conformations via machine learning
☆25May 26, 2024Updated 2 years ago
Alternatives and similar repositories for idpsam
Users that are interested in idpsam are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆52Jan 2, 2025Updated last year
- Disordered protein ensemble prediction☆14Apr 2, 2026Updated last month
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆60Dec 16, 2025Updated 5 months ago
- Convert coarse-grained protein structure to all-atom model☆57Jun 7, 2025Updated 11 months ago
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆12Sep 17, 2025Updated 8 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆48Mar 7, 2026Updated 2 months ago
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆33Jun 9, 2024Updated last year
- MMTSB Tool Set☆33Jan 26, 2026Updated 4 months ago
- Flow-matching for coarse graining of miniproteins.☆20Nov 18, 2022Updated 3 years ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆27Sep 13, 2024Updated last year
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆38Jul 22, 2025Updated 10 months ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆59Jan 28, 2026Updated 4 months ago
- Benchmarking code accompanying the release of `bioemu`☆61Apr 24, 2026Updated last month
- Generative modeling of molecular dynamics trajectories☆216Mar 22, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Structure prediction of alternative protein conformations☆84Feb 24, 2025Updated last year
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated last year
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 8 months ago
- Deep generative modeling of protein structural ensembles☆37May 19, 2026Updated last week
- ☆24Mar 9, 2026Updated 2 months ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆61Aug 21, 2024Updated last year
- Public Releases of the Voth Group's Multi-scale Coarse-graining (MS-CG) code that calculates CG interactions via force matching (FM)☆26Apr 23, 2020Updated 6 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆527Mar 22, 2026Updated 2 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆23Oct 31, 2025Updated 6 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆295Updated this week
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆68May 22, 2024Updated 2 years ago
- AlphaFold version that is extended to integrate diversity parameters for massive sampling.☆17May 4, 2026Updated 3 weeks ago
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆16May 9, 2026Updated 2 weeks ago
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- ☆15Apr 7, 2022Updated 4 years ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆15Dec 13, 2022Updated 3 years ago
- ☆25Jan 15, 2026Updated 4 months ago
- Conformational sampling for highly flexible proteins☆15Jan 31, 2025Updated last year
- 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.
- PyChem-Pro: a molecular viewer, cheminformatics library, molecular descriptor calculator, molecular editor, chemical drawing editor, and …☆165Updated this week
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 2 years ago
- Protein 3D Structure Prediction with DeepFold☆19Aug 26, 2024Updated last year
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆286Dec 10, 2024Updated last year
- ☆28Apr 30, 2026Updated 3 weeks ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆85Apr 21, 2026Updated last month
- ☆15Jan 31, 2026Updated 3 months ago