pydmf
A Python package implementing the direct MaxFlux method and flat-bottom elastic network model for reaction path/transition state optimization.
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install pydmf
Dependencies
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
|---|---|---|---|---|---|
| 1.1.0 | 2026-01-18 | ||||
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| 1.0.0 | 2025-12-03 | ||||
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