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ReacNetGenerator
An automatic generator of reaction network for reactive molecular dynamics simulation.
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MDDatasetBuilder
A script to construct reference datasets for the training of neural network potentials from given LAMMPS trajectories.
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Chemical Tools
Essential tools for chemistry students.
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Color
A tool to predict concentration based on the color.
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DeePMD-kit
A deep learning package for many-body potential energy representation and molecular dynamics
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DP-GEN
The deep potential generator
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