DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
☆19May 7, 2025Updated 11 months ago
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☆11Sep 17, 2025Updated 7 months ago
- ☆27Mar 3, 2024Updated 2 years ago
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- Denoising diffusion probabilistic models for replica exchange☆25Feb 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 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.
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 2024Updated 2 years ago
- Multi-fidelity Gaussian Process Regression☆13Mar 22, 2023Updated 3 years ago
- Convert coarse-grained protein structure to all-atom model☆54Jun 7, 2025Updated 10 months ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Jul 3, 2025Updated 9 months ago
- Resources for Generalisable Protein Complex Prediction☆19Oct 16, 2024Updated last year
- A python implementation of the string method with swarms of trajectories using GROMACS☆19Oct 19, 2022Updated 3 years ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆91Jan 27, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆12Feb 18, 2022Updated 4 years 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.
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆42Jan 7, 2026Updated 3 months ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 5 months ago
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆160Dec 27, 2022Updated 3 years ago
- ☆17Aug 20, 2024Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated 2 months ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Apr 7, 2026Updated 3 weeks ago
- C++ Accelerated Python Diffusion Maps Library☆23Aug 28, 2018Updated 7 years ago
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 11 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆32Nov 10, 2023Updated 2 years 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
- C++11/Python3 library to read/write High Speed AFM data file☆14Apr 14, 2023Updated 3 years ago
- Python Tools for NAMD☆24May 7, 2025Updated 11 months ago
- ☆16Jan 10, 2023Updated 3 years ago
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆103Jun 9, 2025Updated 10 months ago
- Explore protein fold space with deep generative models☆16Aug 5, 2024Updated last year
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years 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.
- 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
- ☆40Feb 26, 2023Updated 3 years ago
- ☆21Apr 10, 2026Updated 2 weeks ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆24Sep 18, 2025Updated 7 months ago
- GPU移植のための実装例(直接法に基づくN体計算)☆17Apr 11, 2026Updated 2 weeks ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 2 years ago