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
- ☆28Mar 3, 2024Updated 2 years ago
- Geometric super-resolution for molecular geometries☆43Jun 15, 2022Updated 4 years ago
- Denoising diffusion probabilistic models for replica exchange☆23Feb 19, 2022Updated 4 years ago
- Reversible molecular simulation☆14May 28, 2025Updated last year
- 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.
- ☆12Oct 7, 2024Updated 2 years ago
- Multi-fidelity Gaussian Process Regression☆13Mar 22, 2023Updated 3 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
- Multi platform molecular dynamics simulator for coarse-grained MD simulation on GPU.☆15Oct 2, 2026Updated 3 weeks ago
- Identifying amino acids important to AlphaFold!☆11Oct 20, 2026Updated last week
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 3 months ago
- Force aggregation code aimed at coarse-grained molecular dynamics☆10Feb 25, 2026Updated 8 months ago
- SynthID Bio is a family of methods developed by Google DeepMind for embedding highly detectable yet function-preserving watermarks direct…☆24Oct 8, 2026Updated 3 weeks ago
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆12Feb 18, 2022Updated 4 years 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.
- ☆24Aug 6, 2026Updated 2 months ago
- 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
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆95Jan 27, 2025Updated last year
- C++ Accelerated Python Diffusion Maps Library☆24Aug 28, 2018Updated 8 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 11 months ago
- A python implementation of the string method with swarms of trajectories using GROMACS☆21Oct 19, 2022Updated 4 years ago
- A simple tool for creating and running MD simulations, using Jupyter and OpenMM☆12Aug 8, 2025Updated last year
- Convert coarse-grained protein structure to all-atom model☆63Jun 7, 2025Updated last year
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆44Oct 21, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆10Mar 8, 2024Updated 2 years ago
- Neural functional theory for inhomogeneous fluids - Tutorial☆17May 20, 2025Updated last year
- Topological Data Analysis on protein structures from crystalized structures and AlphaFold DB.☆12Feb 4, 2026Updated 8 months ago
- ☆14Updated this week
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆106Jun 9, 2025Updated last year
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆93Dec 4, 2023Updated 2 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Updated this week
- ☆10Nov 22, 2022Updated 3 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.
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆160Dec 27, 2022Updated 3 years ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆68Aug 27, 2026Updated 2 months ago
- MCP server for life-science knowledge graphs☆19Updated this week
- Resources for Generalisable Protein Complex Prediction☆20Oct 16, 2024Updated 2 years ago
- Field-theoretic simulation and random phase approximation Python codes for polyampholyte phase-separation☆14Jul 23, 2024Updated 2 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- ☆16Aug 22, 2025Updated last year