OpenMM plugin for simulating electrochemical systems
☆22Sep 23, 2024Updated last year
Alternatives and similar repositories for openmm-velocityVerlet
Users that are interested in openmm-velocityVerlet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular simulation toolkit☆20Jun 6, 2026Updated 2 months ago
- ☆63Jul 10, 2025Updated last year
- ☆15Nov 7, 2022Updated 3 years ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated last year
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 4 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆31Jan 21, 2026Updated 7 months ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated last month
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- ☆13Sep 19, 2022Updated 3 years ago
- ☆18Mar 24, 2025Updated last year
- Rethinking Metadynamics: From Bias Potentials to Probability Distributions☆15Sep 18, 2023Updated 2 years ago
- Scripts for using pymol together with quantum chemistry programs☆18May 26, 2026Updated 3 months ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- 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.
- Python version of the modified Seminario method code☆18Nov 15, 2020Updated 5 years ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- helPME: an efficient library for particle mesh Ewald☆32Feb 28, 2022Updated 4 years ago
- Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These sc…☆23Nov 29, 2013Updated 12 years ago
- ☆17Apr 22, 2025Updated last year
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆59May 3, 2024Updated 2 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆75Jun 12, 2023Updated 3 years ago
- Useful Collective Variables for OpenMM☆18May 9, 2024Updated 2 years ago
- A Python package for LAMMPS analysis tools☆18Mar 27, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆26Apr 27, 2026Updated 4 months ago
- Differentiably evaluate energies using SMIRNOFF force fields☆20Aug 19, 2026Updated last week
- An automated framework for generating optimized partial charges for molecules☆40Aug 10, 2026Updated 2 weeks ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆55Nov 26, 2025Updated 9 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆60Updated this week
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 4 years ago
- An open source Python framework for transition interface and path sampling calculations.☆118Jun 6, 2026Updated 2 months ago
- Jupyter notebook for an introduction to atomic-scale machine learning class☆18Nov 14, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Examples of applications of pymbar to various problems in simulation and experiment☆24Jan 16, 2015Updated 11 years ago
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25May 3, 2025Updated last year
- Intelligent Scientific Agent for Materials Design☆24Aug 21, 2026Updated last week
- A ready-to-use energy diagram drawing program☆13Nov 23, 2023Updated 2 years ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆25Jan 16, 2026Updated 7 months ago