Molecular String Renderer: Robust Visualization Infrastructure
A robust, type-safe Python library for converting chemical string representations (SMILES, SELFIES, InChI) into …...
Scientific Computing
The Surface of Venus
A review of Basilevsky and Head's synthesis of Venus's geology and surface features, emphasizing radar imaging and …...
Exponential Random Number Generation: Two Classic Algorithms Compared
Compare inverse transform sampling and von Neumann's rejection method for exponential random numbers with Python …
Digital Restoration: Modernizing Rahman's 1964 Argon Simulation
How I used modern software engineering (caching, vectorization, and dependency locking) to reproduce a 60-year-old …...
Digital Restoration: Modernizing Rahman's 1964 Argon Simulation
A high-fidelity replication of foundational molecular dynamics using modern software engineering practices: caching, …...
Kabsch Algorithm: NumPy, PyTorch, TensorFlow, and JAX
Learn about the Kabsch algorithm for optimal point alignment with implementations in NumPy, PyTorch, TensorFlow, and JAX …
Automated Adatom Diffusion Workflow
Python-wrapped reference implementation for surface diffusion simulations using LAMMPS and EAM potentials, with …...
Certified Robustness: Projecting Neural Networks onto Stability Constraints
A PyTorch re-implementation of IQCRNN, enforcing strict stability guarantees on Recurrent Neural Networks via Integral …...
Cartesian Genetic Programming in Julia
An implementation of Cartesian Genetic Programming (CGP) featuring NEAT-like speciation mechanics and novel crossover …...
FFTW Compiler in Haskell
Reverse-engineering the genfft logic to generate optimized C kernels for Fast Fourier Transforms using Haskell …...
Term Schedule Optimizer
A constraint satisfaction solver built to generate conflict-free university schedules from web-scraped course data....