Popular repositories Loading
-
cauldronoid
cauldronoid PublicFluently move between three different perspectives on a collection of molecules: spreadsheets (as CSV files), specialized chemistry molecule files (as an SDF file), and machine learning datasets (a…
Python 3
-
annotate-rdkit-with-ase
annotate-rdkit-with-ase PublicHelper functions to annotate RDKit molecules using the output of ASE computations.
Python 2
-
-
-
pytorch-for-atoms-examples
pytorch-for-atoms-examples PublicExamples to get started applying pytorch to systems on an atomic scale
Jupyter Notebook 1
-
If the problem persists, check the GitHub status page or contact support.