john chuang's Projects
Introduction to Mathematical Computing with Python and Jupyter
The repository with the lecture and tutorial for CPS teaching grant
Jupyter Notebooks for Molecular Dynamics
Molecular Dynamics Simulations (Tutorials)
Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
A repo for all the code accompanying my articles on Medium. https://medium.com/@kunjmehta10
Simple molecular dynamics simulations of mini proteins in GROMACS. Designed to facilitate machine learning algorithim development and encourage greater dataset diversity.
Introduction to Machine Learning in Python
MongoDB č³ę
MMSLAB-TF2-Lab
Structural Bioinformatics Training Workshop & Hackathon 2018
Models and examples built with TensorFlow
Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the Global and Local Minimum Energy Structures of Neutral Water Clusters.
code for single-ended and double-ended molecular GSM
3D molecular visualization React component using 3Dmol.js
MolMod is a collection of molecular modelling tools for python.
Awesome mybinder examples for material science, mainly focused on atomistic simulation from density functional theory to interatomic potentials.
Vectorized N-body code (Python)
A parallel neural net microframework
Implementation of a machine learned density functional
Jupyter widget to interactively view molecular structures and trajectories
NITROGEN is a Python package for rovibronic calculations for small molecules.
2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js