Pinned

1. ANI-1_Project ANI-1_Project Public

   To address this challenge, we offer access to a comprehensive database containing over 20 million off-equilibrium conformations of 57,462 small organic molecules, which we believe will serve as a v…

   Jupyter Notebook

2. AQI-predictor AQI-predictor Public

   Forked from annamarieweber/AQI-predictor

   Jupyter notebook and related files for Data 200 Final Project - Data Set 2: Climate and The Environment

   Jupyter Notebook

3. EHT_Project EHT_Project Public

   We present a modified Extended Hückel method that accurately predicts heats of formation and structural parameters for hydrocarbons, with close agreement to experimental data, enabling reliable pre…

   C++

4. matrix_multplication_multithreaded matrix_multplication_multithreaded Public

   Throughout the project, we leverage Perlmutter, a platform recommended for running our program, and use provided scripts for compilation and execution. The project offers an opportunity to deepen o…

   C++

5. MolecularNodes MolecularNodes Public

   Forked from BradyAJohnston/MolecularNodes

   Addon and nodes for working with structural biology and molecular data in Blender.

   Python

6. tinker9 tinker9 Public

   Forked from TinkerTools/tinker9

   Tinker9: Next Generation of Tinker with GPU Support

   C++