Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
☆81May 28, 2026Updated 4 months ago
Alternatives and similar repositories for IL
Users that are interested in IL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Gromacs Topology Files for common Ionic Liquids☆24Jan 24, 2026Updated 8 months ago
- Force field for ionic liquids☆81Apr 16, 2026Updated 5 months ago
- Polarisable force field for ionic liquids☆20Apr 16, 2026Updated 5 months ago
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆42Aug 19, 2026Updated last month
- Deep eutectic solvent force field parameters (OPLS-DES)☆17Jul 28, 2022Updated 4 years 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.
- ☆11Aug 30, 2020Updated 6 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆28May 12, 2026Updated 5 months ago
- Constant potential method in LAMMPS☆52Aug 10, 2023Updated 3 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Jun 15, 2021Updated 5 years ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- Conversion tool for molecular simulations☆230Jan 22, 2026Updated 8 months ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆16Jun 24, 2021Updated 5 years ago
- Tool to build force field input files for molecular simulation☆208Apr 1, 2026Updated 6 months ago
- ☆85Dec 18, 2024Updated 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.
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆160Mar 25, 2026Updated 6 months ago
- ☆118Oct 13, 2022Updated 4 years ago
- Some GROMACS tutorials using methane and water☆16Dec 7, 2016Updated 9 years ago
- updated constant potential plugin for LAMMPS☆39Jan 29, 2023Updated 3 years ago
- Packmol - Initial configurations for molecular dynamics simulations☆381May 27, 2026Updated 4 months ago
- ☆95Apr 16, 2025Updated last year
- A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.☆99Aug 16, 2026Updated last month
- A package for atom-typing as well as applying and disseminating forcefields☆148Oct 6, 2026Updated last week
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆12Oct 8, 2021Updated 5 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.
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆14Jul 25, 2024Updated 2 years ago
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Updated this week
- ☆52Jun 15, 2020Updated 6 years ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Create atomistic structures with ASE, rdkit and packmol☆29Updated this week
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆16May 30, 2022Updated 4 years ago
- AutoTST: A framework to perform automated transition state theory calculations☆51Jul 14, 2026Updated 3 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.
- A GROMACS implementation of the ClayFF force field☆43Dec 28, 2022Updated 3 years ago
- ☆29Feb 25, 2022Updated 4 years ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25Updated this week
- ☆48Sep 23, 2026Updated 3 weeks ago
- Gromacs topology template generator☆16Jul 15, 2021Updated 5 years ago
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆16Oct 21, 2015Updated 10 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆89Nov 9, 2021Updated 4 years ago