Pinned Repositories
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
pacmof
PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.
python-docx-replace
Replace words inside a Word document without losing format
stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
tsnecuda-feedstock
A conda-smithy repository for tsnecuda.
philliphine's Repositories
philliphine/pacmof
PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.
philliphine/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
philliphine/python-docx-replace
Replace words inside a Word document without losing format
philliphine/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
philliphine/tsnecuda-feedstock
A conda-smithy repository for tsnecuda.