OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.
☆12Feb 7, 2025Updated last year
Alternatives and similar repositories for MPIDOpenMMPlugin
Users that are interested in MPIDOpenMMPlugin are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Poltype 2: Automated Parameterization for AMOEBA☆51Updated this week
- An automated framework for generating optimized partial charges for molecules☆40Updated this week
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- ☆26Jun 16, 2025Updated last year
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆199Jul 21, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Force Field X - Software for Molecular Biophysics☆26Updated this week
- Advanced toolkit for binding free energy calculations☆36Sep 2, 2025Updated last year
- generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish☆62Updated this week
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 7 months ago
- A fast, clean, and composable toolkit for molecular modeling☆49Updated this week
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 6 months ago
- A ready-to-use energy diagram drawing program☆13Nov 23, 2023Updated 2 years ago
- ☆19Aug 18, 2026Updated last month
- ☆48Sep 23, 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.
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 2 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆60Updated this week
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆27Sep 19, 2025Updated last year
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 3 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated last year
- Public releases of the NeuralIL differentiable neural-network force field☆14Sep 10, 2024Updated 2 years ago
- Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits☆20Updated this week
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25Sep 29, 2026Updated last week
- Molecular simulation toolkit☆20Sep 6, 2026Updated last month
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A package for atom-typing as well as applying and disseminating forcefields☆148Updated this week
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Apr 27, 2023Updated 3 years ago
- AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials☆15Jun 30, 2020Updated 6 years ago
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated 2 years ago
- An application for configuring and running simulations with OpenMM☆84Oct 30, 2025Updated 11 months ago
- 【yinglish】淫语翻译机!现以 Perl 版呈现!☆13Dec 13, 2021Updated 4 years ago
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated 4 months ago
- A python package designed to communicate among various chemical and materials calculational tools☆15Sep 30, 2026Updated last week
- Tools for preparation and analysis of systems for molecular dynamics.☆32Dec 5, 2025Updated 10 months 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.
- ☆26Updated this week
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated 2 months ago
- ☆12Jun 16, 2023Updated 3 years ago
- The standalone code to simulate the oxDNA/oxRNA models, now equipped with Python bindings and the oxDNA_analysis_tools suite☆76Oct 2, 2026Updated last week
- Computational materials design, with less code.☆13Updated this week
- ☆10Mar 8, 2024Updated 2 years ago
- A suite of tools to explore protein structures with Protein Blocks☆30Jan 27, 2021Updated 5 years ago