Recent Advances in the SELFIES Library (2023)
An overview of the major updates to the SELFIES Python library, including improved performance, expanded chemical …...
Python
Converting SELFIES Strings to 2D Molecular Images
Learn how to visualize SELFIES molecular representations and explore their unique advantages through random sampling, …
Converting SMILES Strings to 2D Molecular Images
Learn how to create 2D molecular images from SMILES strings using RDKit and PIL, with proper formatting and legends.
Exponential Random Number Generation: Two Classic Algorithms Compared
Compare inverse transform sampling and von Neumann's rejection method for exponential random numbers with Python …
Replicating Rahman's 1964 Liquid Argon Simulation
Recreating the foundational 1964 molecular dynamics simulation with modern Python and LAMMPS, testing whether Rahman's …...
Understanding Coulomb Matrices for Molecular Machine Learning
Learn how Coulomb matrices encode 3D molecular structure for machine learning—from basic theory to Python implementation …
How Does Congress Actually Work? Data from 15K Bills
What happens to bills in Congress? Analyzing 15K+ bills from the 117th Congress to understand legislative patterns, …
Kabsch Algorithm: NumPy, PyTorch, TensorFlow, and JAX
Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX …
PyConversations: Social Media Conversational Analysis
Undergraduate thesis exploring representation learning for social media text and developing tools for cross-platform …
Count Vectorization with scikit-learn in Python
Learn count vectorization in Python: convert text to numerical vectors using scikit-learn's CountVectorizer with …
Rubik's Cube Player
Real-time computer vision system converting Rubik's cube color patterns into music, generating harmonious sounds as the …
Rubik's Cube Player - Drexel Music Hackathon 2017
A hackathon project that converts Rubik's cube faces into music, creating more harmonious sounds as the cube becomes …