giacomo-janson / idpsamView external linksLinks
Generate intrinsically disordered peptide conformations via machine learning
☆24May 26, 2024Updated last year
Alternatives and similar repositories for idpsam
Users that are interested in idpsam are comparing it to the libraries listed below
Sorting:
- ☆51Jan 2, 2025Updated last year
- Disordered protein ensemble prediction☆11Dec 22, 2025Updated last month
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 2 months ago
- Convert coarse-grained protein structure to all-atom model☆50Jun 7, 2025Updated 8 months ago
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆10Sep 17, 2025Updated 4 months ago
- ☆47Apr 16, 2025Updated 10 months ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 weeks ago
- Flow-matching for coarse graining of miniproteins.☆19Nov 18, 2022Updated 3 years ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆19Oct 31, 2025Updated 3 months ago
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated 4 months ago
- Benchmarking code accompanying the release of `bioemu`☆54Nov 25, 2025Updated 2 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆34Jul 22, 2025Updated 6 months ago
- Generative modeling of molecular dynamics trajectories☆193Nov 23, 2025Updated 2 months ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆11Sep 6, 2024Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆53Jan 28, 2026Updated 2 weeks ago
- Deep generative modeling of protein structural ensembles☆36Sep 22, 2025Updated 4 months ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆26Sep 13, 2024Updated last year
- Structure prediction of alternative protein conformations☆81Feb 24, 2025Updated 11 months ago
- Python package for InfoAlign☆13Oct 14, 2024Updated last year
- [ICLR 2025] Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension☆17May 5, 2025Updated 9 months ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆14Dec 13, 2022Updated 3 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆59Aug 21, 2024Updated last year
- Conformational sampling for highly flexible proteins☆13Jan 31, 2025Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆512Oct 21, 2025Updated 3 months ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆67May 22, 2024Updated last year
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆278Jan 27, 2026Updated 2 weeks ago
- ☆15Apr 7, 2022Updated 3 years ago
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆32Jun 9, 2024Updated last year
- ☆17Aug 28, 2025Updated 5 months ago
- AlphaFold version that is extended to integrate diversity parameters for massive sampling.☆16Feb 6, 2026Updated last week
- ☆23Apr 13, 2025Updated 10 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Mar 21, 2025Updated 10 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆18Aug 8, 2024Updated last year
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 2 years ago
- ☆21Feb 25, 2025Updated 11 months ago
- ☆17Oct 27, 2024Updated last year
- ☆19Jan 15, 2026Updated last month
- Protein 3D Structure Prediction with DeepFold☆19Aug 26, 2024Updated last year