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bayerl's Projects

canela icon canela

python package of CANELa tools to setup, track, and analyze comp chem calculations

comfortable-swipe icon comfortable-swipe

Comfortable 3-finger and 4-finger swipe gesture using Xdotool in native C++

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dpdata icon dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

dpgen icon dpgen

The deep potential generator

gaphor icon gaphor

Gaphor is the simple modeling tool

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