Notes

Unlike my posts, these notes are more informal and focused on personal understanding. 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
  • Chemical Language Models - Text-to-text translation and vision-language models
  • 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

• Interdisciplinary - Computational biology, evolutionary biology, planetary science, computational social science, and research methods

  • Computational Biology - Protein structure, folding, and dynamics
  • Computational Social Science - Computational approaches to social and political science
  • Evolutionary Biology - Molecular evolution, phylogenetics, and the origins of life
  • Planetary Science - Planetary geology and astrobiology
  • Research Methods - Meta-scientific frameworks and research methodologies