A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
☆33Aug 3, 2024Updated last year
Alternatives and similar repositories for hoomd-tf
Users that are interested in hoomd-tf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- Physical validation of molecular simulations☆65Apr 6, 2026Updated 2 months ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jun 8, 2026Updated last week
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jun 8, 2026Updated last week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- learning coarse-grained force fields☆66Nov 30, 2021Updated 4 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆17Aug 1, 2025Updated 10 months ago
- A HOOMD-blue component for soft matter simulations.☆27Jun 12, 2026Updated last week
- HOOMD-blue example scripts.☆38Jun 8, 2026Updated last week
- A hierarchical, component based molecule builder☆216Jun 12, 2026Updated last week
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 3 years ago
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Apr 1, 2024Updated 2 years ago
- An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM☆19Jun 5, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆142Jun 9, 2026Updated last week
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- Repository for material from the 2020 MC/MD Summer Workshop☆14Jul 12, 2024Updated last year
- Sampling-based approach to analyse neural networks using TensorFlow☆23Apr 10, 2019Updated 7 years ago
- Workflow management for signac-managed data spaces.☆49Jul 31, 2025Updated 10 months ago
- ☆10Mar 31, 2023Updated 3 years ago
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated last week
- 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.
- Tools to build coarse grained models and perform simulations with OpenMM☆24Dec 16, 2022Updated 3 years ago
- OpenMM plugin to define forces with neural networks☆31Jan 9, 2020Updated 6 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated last year
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Jun 11, 2026Updated last week
- Differentiably evaluate energies using SMIRNOFF force fields☆20Jun 11, 2026Updated last week
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆19Jun 2, 2026Updated 2 weeks ago
- Experiments with expanded ensembles to explore chemical space☆201Oct 28, 2025Updated 7 months ago
- A set of tutorials to introduce new users to mBuild☆11Jun 14, 2021Updated 5 years ago
- A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.☆341Jan 25, 2026Updated 4 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- Tools for preparation and analysis of systems for molecular dynamics.☆32Dec 5, 2025Updated 6 months ago
- Computational materials design, with less code.☆13May 18, 2026Updated last month
- Parallel programming with Python exercises☆13Feb 18, 2025Updated last year
- N-Dimensional MD engine with symmetry group constraints written in C☆49Jul 24, 2024Updated last year
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Feb 4, 2022Updated 4 years ago
- OpenMM plugin to interface with PLUMED☆79Jan 15, 2026Updated 5 months ago