A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
☆322Nov 17, 2025Updated 10 months ago
Alternatives and similar repositories for moltemplate
Users that are interested in moltemplate are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Conversion tool for molecular simulations☆230Jan 22, 2026Updated 7 months ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- Tool to build force field input files for molecular simulation☆208Apr 1, 2026Updated 5 months ago
- Packmol - Initial configurations for molecular dynamics simulations☆379May 27, 2026Updated 3 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆23Sep 27, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Public development project of the LAMMPS MD software package☆3,060Updated this week
- ☆117Oct 13, 2022Updated 3 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆199Sep 11, 2026Updated last week
- Beginner LAMMPS tutorials in Jupyter notebooks — lattice energy, tension and compression, grain boundaries, fracture, and polymer chains☆495Jul 19, 2026Updated 2 months ago
- A hierarchical, component based molecule builder☆226Updated this week
- LAMMPS inputs and data files☆310Oct 9, 2024Updated last year
- A package for atom-typing as well as applying and disseminating forcefields☆148Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- python simulation interface for molecular modeling☆108Jun 26, 2022Updated 4 years ago
- MDAnalysis wrapper around Packmol☆38May 1, 2023Updated 3 years ago
- An open library for the analysis of molecular dynamics trajectories☆735Updated this week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,650Sep 3, 2026Updated 2 weeks ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆414Updated this week
- ☆13Dec 17, 2025Updated 9 months ago
- Generate PEG topology for GROMACS and LAMMPS☆26Aug 19, 2024Updated 2 years ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 5 years ago
- LAMMPS input from lammpstutorials.github.io☆64Oct 1, 2025Updated 11 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.
- Development version of plumed 2☆517Updated this week
- ☆16Dec 17, 2024Updated last year
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 4 months ago
- Supplementary scripts for Z1+ users☆20Sep 3, 2026Updated 2 weeks ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆403Aug 22, 2026Updated 3 weeks ago
- On-the-fly calculation of Transport Properties☆31Sep 7, 2026Updated last week
- The source of the votca-csg and xtp packages☆67Updated this week
- Atomify - a realtime LAMMPS visualizer☆163Oct 19, 2022Updated 3 years ago
- The future of Packmol☆43Sep 9, 2026Updated last week
- 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.
- ☆85Dec 18, 2024Updated last year
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆257Updated this week
- Parameter/topology editor and molecular simulator☆454Updated this week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆21Jul 6, 2026Updated 2 months ago
- ☆25Mar 8, 2023Updated 3 years ago
- DFTB+ general package for performing fast atomistic simulations☆434Updated this week
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆25Feb 14, 2024Updated 2 years ago