Popular repositories Loading

1. alphaMELTSEnsemble alphaMELTSEnsemble Public

   Code to run a large number of alphaMELTS simulations and to plot the outputs from those simulations as a combined object.

   Python 14 6

2. QEScripts QEScripts Public

   Some python scripts for setting up and analyzing Quantum Espresso calculations.

   Jupyter Notebook 5 1

3. LibraryGPT LibraryGPT Public

   Uses ChatGPT to answer questions grounded in the knowledge base of a large number of PDFs. For example, using a few thousand scientific papers, the question will trigger a ChatGPT question which co…

   Python 2

4. StoichiometryFitter StoichiometryFitter Public

   Interconvert X-ray counts into elemental abundances and determine mineral compositions from the composition.

   Python 1 2

5. PyALS PyALS Public

   Routines for processing data obtained at the Advanced Light Source

   1

6. IRFunctionalGroupFinder IRFunctionalGroupFinder Public

   An app for identifying functional groups in infrared spectra.

   Python 1 1