machine-learning-force-field

There are 5 repositories under machine-learning-force-field topic.

materialsvirtuallab/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Language:Jupyter Notebook381 20 6980
rk-lindsey/chimes_calculator
Tools to interface ChIMES with various external codes.
Language:C++20 5 924
tysours/DPTools
CLI toolkit for training and applying DeePMD models
Language:Python10 1 03
rk-lindsey/chimes_lsq
Tools to develop ChIMES parameter sets
Language:DIGITAL Command Language3 2 121
rk-lindsey/al_driver
AI-driven framework for automated ChIMES model development
Language:Python1 3 017