AnoopLab ↗
Group research, collaborations, publications, software and people.
Computational chemistry · molecular discovery
A. Anoop
Anoop Ayyappan · Professor and computational chemist
The research programme I guide at AnoopLab combines automated chemical exploration with scientific machine learning for molecular discovery. I also write about teaching, universities and academic life.
Research
My research asks how computational chemistry can explore molecular structures and reactions more systematically, and how machine learning can help without obscuring chemical reasoning. The collective programme at AnoopLab has two connected directions: automated chemical exploration and scientific machine learning.
Teaching, universities and academic life
A separate strand of my work concerns teaching, research culture, university governance and the institutional conditions under which knowledge is produced.
Where the work lives
This site holds my perspective and writing. Group research, software and official records each have their own place.
GitHub ↗
Source code, datasets, technical documentation and active development.
DUK profile ↗
The official institutional record of my position and current university responsibilities.
Recent writing
Notes and essays on computational chemistry, scientific machine learning, research practice, education and institutions.
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A Small Piece of the Web of Your Own
A personal history of academic website making—from HTML and Drupal to Hugo, GitHub Pages and AI—and why academics should have a space of their own on the web.
Profiles and contact
For publications, identifiers and professional connections, use the source most appropriate to what you are looking for.