Unlike my posts, these notes are more informal and focused on personal understanding rather than teaching. They represent ongoing learning and may evolve as my understanding deepens.
Browse by Domain
Computational Chemistry — Molecular simulation, cheminformatics, and computational approaches to chemistry
- Datasets — Dataset cards for benchmarks and training data
- Molecular Representations — SMILES, InChI, SELFIES, and other formats
- Molecular Dynamics — Simulation methods, potentials, and sampling
- Molecular Modeling — 3D representations and neural network potentials
- Optical Structure Recognition — Extracting molecular structures from images
- Benchmark Problems — Standard test problems
- Classic Papers — Foundational works
Machine Learning — ML methods, architectures, and foundational papers
- Generative Models — VAEs, diffusion models, and generative approaches
- Geometric Deep Learning — Equivariant networks and symmetry
- Classic Papers — Foundational works
Other Topics — Miscellaneous notes
- Planetary Science — Planetary geology and related topics