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 11 months ago
- 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☆24Feb 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
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Multi-fidelity Gaussian Process Regression☆12Mar 22, 2023Updated 3 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated last month
- Prepare topology and coordinate file for CG models in Genesis.☆13May 14, 2026Updated 3 months 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☆93Jan 27, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 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 3 weeks ago
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆42Jan 7, 2026Updated 7 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.
- 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☆159Dec 27, 2022Updated 3 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 9 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…☆69May 22, 2024Updated 2 years ago
- Resources for Generalisable Protein Complex Prediction☆20Oct 16, 2024Updated 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.
- Python Tools for NAMD☆24May 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 4 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 4 years ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated 2 years ago
- Alchemical machine learning interatomic potentials☆38Nov 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 11 months ago
- 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 week
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆19Sep 19, 2022Updated 3 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 2 years ago