Hello, I am

Kohulan Rajan.

Computational Chemist Photographer

Get to know me

Let me introduce myself.

Profile Picture

At the moment I am a postdoctoral researcher in the Steinbeck group at Friedrich-Schiller University in Jena, Germany. I worked on my PhD thesis under the supervision of Prof.Dr.Christoph Steinbeck and Prof.Dr.Achim Zielesny. Most of my research focuses on using deep learning methodologies for chemical data mining, computer vision and natural language processing (NLP) for understanding chemical structure representations. Most of my work is done with the Google Cloud platform and Tensor Processing Units (TPUs) from Google. Furthermore, I also serve as a teaching assistant for cheminformatics and Python courses.


Currently, I am a full-time researcher, a hobbyist photographer, and a foodie, with a great passion for cooking and baking.

  • Fullname: Kohulan Rajan
  • Job: Computational chemist
  • Website: www.kohulanr.com
  • Email: kohulan.rajan@uni-jena.de
  • Project Website: www.decimer.ai

Professional Skills

Summarized few of my professional skills

  • 90%
  • 85%
  • 85%
  • 85%
    Shell Scripting
  • 90%
  • 85%
    Photoshop & Lightroom
  • 80%
    After effects and Premier
  • 75%
Work & Education

More of my credentials.

In my lifetime, I have been fortunate enough to live, work and study in multiple countries. Each of them has shaped me into the person I am today.

Scientific Projects

PhD Projects

July 2017 - May 2021


Deep leARning for chemicaL Information processinG

Vast quantities of scientific information are hidden in primary scientific publications and not available as curated data in scientific databases. Making such information publicly available to support open science and open innovation is a challenge that has to be solved. In this dissertation, state-of-the-art deep learning models for optical chemical structure recognition and chemical information processing have been implemented to rediscover this information and retrieve it automatically.

August 2020 - today

STOUT (Smiles TO iUpac Translator)

STOUT: SMILES TO IUPAC Translator is built using the same concept as a Neural Machine Translation(NMT). STOUT is initially trained on a subset downloaded from PubChem containing 30 Million SMILES and 60 Million SMILES. which got converted into SELFIES using the SELFIES package. The same set of SMILES also was converted into IUPAC names using ChemAxon "molconvert", a command-line program in Marvin Suite 20.15 from ChemAxon (https://www.chemaxon.com). Later the textual data was converted into TFRecords(Binary files) for training on Tensor Processing Units(TPUs).

December 2019 - June 2020

MSC (Molecule Set Comparator)

Molecule Set Comparator (MSC) is designed as an application that enables a user to do a versatile and fast comparison of large molecule sets with a unique inter-set, molecule-to-molecule comparison, for the original set and a predicted set of molecules obtained by machine learning approaches. The molecule-to-molecule comparison is based on chemical descriptors, which are included in the Chemistry Development Kit (CDK), such as Tanimoto similarities, atom/bond/ring counts, and physicochemical properties like logP. The results are presented graphically and summarized by interactive histograms that can be exported in publication quality

Collaborative Projects

July 2020 - today

COCONUT COlleCtion of Open NatUral producTs

I was part of the data curation work and desinged the logo for the project

Masters' Thesis

December 2016 - May 2017

A rule-based method for systematic conformer generation

A Java based to tool to explore and generate the conformers of a bioactive molecule systematically.


Ph.D. Thesis

July 2017 - May 2021

Friedrich-Schiller-Universität, Jena, Germany.

In 2021 I completed and defended my Ph.D with a "Summa cum laude" grade.

Masters Degree

July 2015 - June 2017

Savithribai Phule Pune University, Pune, India.

I completed my Master’s degree in Bioinformatics, in Pune, India. For my Masters’ thesis, I worked primarily in cheminformatics.

Bachelor Degree

September 2011 - November 2014

Bangalore University, Bangalore, India

I completed my Bachelor of Science in Biotechnology, in Bangalore, India.


Scientific publications

Here are a few of the scientific papers I have published over the course of my scientific career. All of my papers are open-access because I exclusively work on open-source and open-data projects. My code for the projects is available on GitHub.


Check out my photographs!

I do click plenty more, to check them all visit my Instagram and to download them as wallpapers check my artist page on walli.

Watch this section for new content, and in the meantime, check out what I'm listening to.

Kohulan's Now Playing

I'd Love To Hear From You.

I would love to hear from you, so please feel free to contact me directly or simply follow me on my GitHub and social media accounts.

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Where to find me

Institute for Inorganic and Analytical Chemistry
Friedrich Schiller University
Lessingstraße 8
07743 Jena

Group website


Call Me At

Phone: +49 3641 948783