Pinned Loading

1. DensMD DensMD Public

   A PyQt5-based application for visualising atomic trajectory data in 3D, designed specifically for molecular dynamics analysis.

   Python

2. Active-Learning-Workflow Active-Learning-Workflow Public

   An Active Learning workflow for a committee of ASE calculators

   Python 1

3. sim_eval sim_eval Public

   A (tiny) wrapper around ASE calculators to speed up analyzing and comparing the accuracy of different molecular dynamics simulation methods.

   Python

4. ArduinoAD8232ECG ArduinoAD8232ECG Public

   An open source arduino heart rate monitor based on the AD8232 with a graphical interface written in python.

   Python 16 9

5. thunderlamp thunderlamp Public

   A simple Arduino controlled LED lamp. Led's dispersed throughout the model can flash to simulate lightning

   C++

6. Rewrite of the ase LAMMPS dat file p... Rewrite of the ase LAMMPS dat file parser to yield 50-100x speedup and properly implement lazy loading and indexing

   1

   # All rights for ase belong to the owners at https://gitlab.com/ase/ase

   2

   # this is a partial rewrite of the original lammpsrun.py found at:

   3

   # https://gitlab.com/ase/ase/-/blob/master/ase/io/lammpsrun.py?ref_type=heads

   4

   # Modifcations made by Chris Davies. See ase merge request 

   5

   # https://gitlab.com/ase/ase/-/merge_requests/3354