PTC-CMC's repositories
Pore-Builder
mBuild recipe for building slit-pores.
McCabeGroup
McCabe lab repository for ceramide and phospholipid systems
random_forest_tg
Random forest models for predicting the coefficient of friction and adhesion for systems of two contacting functionalized monolayers.
Language:Jupyter Notebook000
ucas-workshop
Material for the workshop portion of the "Theoretical and Computational Chemistry: Modeling Methods in Chemical Engineering" course at the University of Chinese Academy of Sciences
atools_ml
A collection of routines related to structure-property examination and machine learning.
Language:PythonMIT000
calculator
Calculator class to showcase git development
cybercamp_2019
Repository for some introductory material to computational science and molecular simulation
pairing
analyze pairing and clustering of molecular systems
Language:PythonMIT000