flowerMD
The facts below are what the maker publishes about flowerMD, checked and dated. Our editors have not written about it yet.
The facts
Each one read from flowerMD's own pages, with the date it was checked.
What it does
- Delivery mode
- desktopchecked 24 Sep 2026
- Design
- Its object-oriented, library-based design is described as extensible and agnostic to system identity, force field, and thermodynamic ensemble.checked 12 Oct 2026
- Example workflows
- The documented modules include polymer welding and surface wetting simulations.checked 12 Oct 2026
- Force fields
- Documented force-field classes include bead-spring, ellipsoid, GAFF, OPLS-AA, Kremer-Grest bead-spring, and tabulated potentials.checked 12 Oct 2026
- Forcefields
- Documented forcefield classes include bead-spring, ellipsoid, GAFF, OPLS-AA, Kremer-Grest bead-spring, and table forcefields.checked 12 Oct 2026
- GPU setup
- For a GPU-compatible HOOMD-Blue installation, the CUDA version must be set manually before installing flowerMD.checked 12 Oct 2026
- Installation
- The documentation offers installation from conda-forge or from source using Conda and pip.checked 12 Oct 2026
- Integrations
- The project describes flowerMD as a wrapper for MoSDeF packages and HOOMD-Blue.checked 12 Oct 2026
- License
- The GitHub repository identifies the project license as GPL-3.0.checked 12 Oct 2026
- Limits
- The installation instructions say GPU compatibility requires manually matching the HOOMD-blue build to the CUDA version.checked 12 Oct 2026
- Polymer library
- The library includes polymer examples such as PEEK, PEKK, PPS, polyethylene, and coarse-grained bead-spring chains.checked 12 Oct 2026
- Purpose
- flowerMD is a modular Python wrapper package for building fast, reproducible end-to-end molecular dynamics simulation workflows.checked 12 Oct 2026
- Research focus
- The documentation describes workflows for materials science research, with a focus on emulating physical experiments on organic materials.checked 12 Oct 2026
- Security
- The opened project documentation and repository pages provide no security or compliance claims.checked 12 Oct 2026
- Support and examples
- The documentation links to a GitHub source repository and issue tracker, as well as tutorials showing how to use flowerMD.checked 12 Oct 2026
- Support and learning
- The project points users to GitHub issues and tutorials for source code, issue tracking, and usage examples.checked 12 Oct 2026
- Surface wetting
- The surface-wetting module builds a droplet and combines its snapshot and forces with a surface for wetting simulations.checked 12 Oct 2026
- Tensile simulation
- The simulation library documents a tensile test class that applies strain along a selected axis.checked 12 Oct 2026
- Welding
- The welding module provides interface creation between slabs and a simulation class for modeling welding of an interface joint.checked 12 Oct 2026
- Workflow focus
- It connects molecule specification, force-field parametrization and application, and simulation launch in a flexible workflow.checked 12 Oct 2026
Money
- Free plan
- Yeschecked 24 Sep 2026
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