☆10Jul 3, 2023Updated 3 years ago
Alternatives and similar repositories for openmm_workshop
Users that are interested in openmm_workshop are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆21Jul 16, 2020Updated 6 years ago
- Machine learning for molecular dynamics☆13Jan 9, 2025Updated last year
- ☆13Oct 22, 2026Updated last week
- ☆14Sep 8, 2026Updated last month
- ☆15Jun 11, 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.
- code and source data for de novo design of Kemp elimination paper☆26Sep 18, 2025Updated last year
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Reinforcement learning environments for drug discovery☆19Aug 23, 2024Updated 2 years ago
- ☆10Jul 24, 2022Updated 4 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆37Jun 20, 2026Updated 4 months ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- SOURSOP is an analysis suite for molecular simulations of intrinsically disordered proteins☆12Oct 1, 2026Updated 3 weeks ago
- ☆10Feb 12, 2025Updated last year
- ☆51Sep 5, 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.
- The OpenMM Cookbook and Tutorials☆62Sep 18, 2026Updated last month
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆95Jan 27, 2025Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆106Jun 9, 2025Updated last year
- Force Fields☆72Jan 27, 2025Updated last year
- Notebooks for NYU Statistical Mechanics☆20Jul 6, 2023Updated 3 years ago
- Automatically prepare structures from the PDB for molecular dynamics simulation☆14Oct 19, 2026Updated last week
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- Density based object completion over PBC.☆33Apr 23, 2026Updated 6 months ago
- A package for all physics based/related models☆54Sep 12, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Tools to build coarse grained models and perform simulations with OpenMM☆24Aug 12, 2026Updated 2 months ago
- Exploratory work on free energy calculations with GROMACS using "separated topologies" approach (Rocklin et al., 2013).☆29Dec 4, 2024Updated last year
- OpenMM implementation of MOFF, MRG-CG, and HPS models.☆46Sep 29, 2026Updated last month
- Gibbs sampling for expanded ensembles and replica exchange simulations☆11Jun 1, 2014Updated 12 years ago
- OpenMM testbed for constant-pH methodologies.☆26Sep 20, 2021Updated 5 years ago
- Tools for assessing convergence of Molecular Dynamics simulations by error analysis of calculated ensemble averages and free energies☆15Jan 4, 2024Updated 2 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆15Jul 25, 2025Updated last year
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆39Oct 19, 2026Updated last week
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Skipping the replica exchange ladder with normalizing flows☆13Feb 7, 2024Updated 2 years ago
- Topological Data Analysis on protein structures from crystalized structures and AlphaFold DB.☆12Feb 4, 2026Updated 8 months ago
- ☆17Jul 28, 2022Updated 4 years ago
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Nov 24, 2021Updated 4 years ago
- An application for configuring and running simulations with OpenMM☆84Oct 30, 2025Updated 11 months ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Jan 26, 2024Updated 2 years ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago