Pinned Repositories
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
datasets
A collection of datasets of ML problem solving
dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
machine-learning-dataschool
Detailed notes and code to learn the basics of machine learning with scikit-learn.
ocp_Development
https://opencatalystproject.org/
SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
fairchem
FAIR Chemistry's library of machine learning methods for chemistry
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
EricMusa's Repositories
EricMusa/amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
EricMusa/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
EricMusa/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
EricMusa/datasets
A collection of datasets of ML problem solving
EricMusa/dscribe
DScribe is a python package for creating machine learning descriptors for atomistic systems.
EricMusa/machine-learning-dataschool
Detailed notes and code to learn the basics of machine learning with scikit-learn.
EricMusa/ocp_Development
https://opencatalystproject.org/
EricMusa/SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)