EricMusa's repositories
ocp_Development
https://opencatalystproject.org/
MIT000
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
GPL-3.0000
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
Language:PythonMIT000
SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
Language:PythonGPL-3.0000
datasets
A collection of datasets of ML problem solving
000
dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Apache-2.0000
CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Language:Jupyter NotebookGPL-3.0000
machine-learning-dataschool
Detailed notes and code to learn the basics of machine learning with scikit-learn.
Language:Jupyter Notebook000