kimjoyc Goto Github PK

ani-1_project

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 valuable benchmark for evaluating the performance of current and future machine learning potential methods in the scientific community.

aqi-predictor

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

cutlass

CUDA Templates for Linear Algebra Subroutines

eht_project

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 prediction of reaction enthalpies; the computationally efficient scheme can be implemented within seconds on a PC, and a corresponding computer program

kimjoyc.github.io

leetcode

matrix_multplication_multithreaded

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 our understanding of C++ programming, performance optimization, parallelization, and performance analysis techniques.

molecular-nodes-bug

Explanation of bug found in MolecularNodes

molecularnodes

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

tinker9

Tinker9: Next Generation of Tinker with GPU Support