Force field for ionic liquids
☆74Apr 16, 2026Updated 3 weeks ago
Alternatives and similar repositories for clandp
Users that are interested in clandp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tool to build force field input files for molecular simulation☆198Apr 1, 2026Updated last month
- ☆15Nov 7, 2022Updated 3 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆74Aug 15, 2024Updated last year
- Polarisable force field for ionic liquids☆17Apr 16, 2026Updated 3 weeks ago
- Constant potential method in LAMMPS☆52Aug 10, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Gromacs Topology Files for common Ionic Liquids☆24Jan 24, 2026Updated 3 months ago
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- ☆114Oct 13, 2022Updated 3 years ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆15Jun 24, 2021Updated 4 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆38May 8, 2023Updated 3 years ago
- Molecular simulation toolkit☆20Sep 17, 2025Updated 7 months 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
- ☆11Aug 30, 2020Updated 5 years 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.
- On-the-fly calculation of Transport Properties☆30Jun 19, 2023Updated 2 years ago
- An interactive data exploration tool for json structured ionic liquid data from ILThermo (NIST)☆11Mar 1, 2024Updated 2 years ago
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆29Jan 21, 2026Updated 3 months ago
- The future of Packmol☆42Mar 4, 2026Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 2 months ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆82Apr 8, 2026Updated last month
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- python simulation interface for molecular modeling☆106Jun 26, 2022Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- ☆19Jul 14, 2022Updated 3 years ago
- ☆81Dec 18, 2024Updated last year
- Free energy perturbation in LAMMPS.☆23Apr 18, 2021Updated 5 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆11Oct 8, 2021Updated 4 years ago
- MoSDeF compatible wrapper for Cassandra Monte Carlo code☆14Nov 12, 2024Updated last year
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆166May 24, 2023Updated 2 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆88Nov 9, 2021Updated 4 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
- 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.
- Conversion tool for molecular simulations☆225Jan 22, 2026Updated 3 months ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Apr 14, 2026Updated 3 weeks ago
- Deep eutectic solvent force field parameters (OPLS-DES)☆15Jul 28, 2022Updated 3 years ago
- An Integrated VMD Graphical User Interface for Molecular Packing☆33Dec 28, 2024Updated last year
- Packmol - Initial configurations for molecular dynamics simulations☆354Mar 30, 2026Updated last month
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 3 months ago
- Various scripts for quantum chemistry (mainly ORCA)☆15Feb 6, 2025Updated last year