SIMD instructions for faster distance calculations.
☆25Apr 7, 2026Updated 4 months ago
Alternatives and similar repositories for distopia
Users that are interested in distopia are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Differentiably evaluate energies using SMIRNOFF force fields☆20Aug 3, 2026Updated last week
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated last year
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆95Updated this week
- MDAnalysis tool to calculate membrane curvature.☆35Updated this week
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆82Jul 6, 2026Updated last month
- 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.
- A comprehensive tool for analyzing liquid solvation structure.☆54Nov 26, 2025Updated 8 months ago
- Package for consistent reporting of relative free energy results☆42Jul 23, 2026Updated 2 weeks ago
- core data models of the Open Free Energy ecosystem☆44Updated this week
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆35Jul 31, 2026Updated last week
- Plugins to enable using custom functional forms in SMIRNOFF based force fields☆11Updated this week
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆32Nov 5, 2025Updated 9 months ago
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆60Updated this week
- 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.
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- The MDAnalysis Toolkits Registry☆19Updated this week
- A package for all physics based/related models☆55Sep 12, 2024Updated last year
- An engine for electrostatic ML embedding for multiscale modelling.☆28Jul 28, 2026Updated last week
- This package contains tools for setting up hybrid-topology FE calculations☆38Updated this week
- Batched optimisation algorithms for neural network potential driven molecular dynamics.☆17Nov 27, 2025Updated 8 months ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆23Jun 30, 2025Updated last year
- A Python package for LAMMPS analysis tools☆18Mar 27, 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.
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆19Jul 23, 2026Updated 2 weeks ago
- ☆10Dec 27, 2019Updated 6 years ago
- Software for automated processing of alchemical free energy calculations☆12Nov 7, 2022Updated 3 years ago
- Systematic force field optimization.☆165Jun 5, 2026Updated 2 months ago
- ☆17Mar 24, 2025Updated last year
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆107Jul 5, 2024Updated 2 years ago
- High level API for using machine learning models in OpenMM simulations☆178Jul 17, 2026Updated 3 weeks ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jul 31, 2026Updated last week
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25Jul 28, 2026Updated last week
- 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.
- Collection of tools to help initialize and manipulate geometries in two and three dimensions.☆25Jul 29, 2026Updated last week
- 📐 Symmetry-corrected RMSD in Python☆118Aug 3, 2026Updated last week
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆26Jul 17, 2026Updated 3 weeks ago
- Differentiable Markov Chain Monte Carlo☆15Mar 23, 2024Updated 2 years ago
- Standalone charge assignment from Espaloma framework.☆48Oct 10, 2025Updated 9 months ago
- User Guide for MDAnalysis☆30Updated this week
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 3 years ago