w6ye's repositories
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
Language:PythonMIT000
cheatsheets-ai
Essential Cheat Sheets for deep learning and machine learning researchers
000
maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Language:PythonBSD-3-Clause000
mlchempapers
A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Language:PythonMIT000