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GitHub / tongzhugroup / mddatasetbuilder
A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/tongzhugroup%2Fmddatasetbuilder
Stars: 36
Forks: 11
Open Issues: 4
License: lgpl-3.0
Language: Python
Repo Size: 279 KB
Dependencies:
0
Created: almost 6 years ago
Updated: 9 days ago
Last pushed: 9 days ago
Last synced: 8 days ago
Topics: chemistry, dataset, md, molecular-dynamics, neural-network, python
Files
No dependencies found