DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
☆18May 7, 2025Updated last year
Alternatives and similar repositories for DiAMoNDBack
Users that are interested in DiAMoNDBack are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative backmapping of coarse-grained molecular systems using an equivariant graph neural network and flow-matching☆12Sep 17, 2025Updated last year
- Geometric super-resolution for molecular geometries☆43Jun 15, 2022Updated 4 years ago
- ☆28Mar 3, 2024Updated 2 years ago
- Denoising diffusion probabilistic models for replica exchange☆23Feb 19, 2022Updated 4 years ago
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Jul 25, 2023Updated 3 years 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.
- Multi-fidelity Gaussian Process Regression☆12Mar 22, 2023Updated 3 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 2 months ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Sep 25, 2026Updated 2 weeks ago
- ☆10Mar 8, 2024Updated 2 years ago
- A python implementation of the string method with swarms of trajectories using GROMACS☆21Oct 19, 2022Updated 3 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆94Jan 27, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆108Jul 30, 2024Updated 2 years ago
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆12Feb 18, 2022Updated 4 years ago
- ☆24Aug 6, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆43Jan 7, 2026Updated 9 months ago
- C++ Accelerated Python Diffusion Maps Library☆24Aug 28, 2018Updated 8 years ago
- Convert coarse-grained protein structure to all-atom model☆62Jun 7, 2025Updated last year
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆160Dec 27, 2022Updated 3 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 10 months ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- 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
- 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.
- Resources for Generalisable Protein Complex Prediction☆21Oct 16, 2024Updated last year
- Python Tools for NAMD☆25May 7, 2025Updated last year
- C++11/Python3 library to read/write High Speed AFM data file☆14Apr 14, 2023Updated 3 years ago
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Updated this week
- ☆30Apr 30, 2026Updated 5 months ago
- ☆16Jan 10, 2023Updated 3 years ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆106Jun 9, 2025Updated last year
- Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…☆13Sep 14, 2021Updated 5 years 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.
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated 2 years ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- ☆40Feb 26, 2023Updated 3 years ago
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆25Sep 18, 2025Updated last year
- GPU移植のための実装例（直接法に基づくN体計算）☆17Aug 17, 2026Updated last month
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆19Sep 19, 2022Updated 4 years ago