Kohulan Rajan
@kohulanr.bsky.social
Computational Chemist 🧪 specializing in AI-driven cheminformatics, Data Mining & deep learning. Lead @ DECIMER.ai. Part-time photographer 📸, poet 🖋, and digital music maker 🎵. 🇱🇰 roots 🌍
Currently in Jena, Germany
Explore more: kohulanr.com
Currently in Jena, Germany
Explore more: kohulanr.com
Our new paper, MARCUS, is now published @digital-discovery.rsc.org !
Paper: doi.org/10.1039/D5DD...
We built MARCUS - a free, open-source AI platform that extracts the millions of chemical structures trapped in PDFs in minutes instead of hours.
#Opensource #Opendata #OpenScience #CompChem
Paper: doi.org/10.1039/D5DD...
We built MARCUS - a free, open-source AI platform that extracts the millions of chemical structures trapped in PDFs in minutes instead of hours.
#Opensource #Opendata #OpenScience #CompChem
October 16, 2025 at 12:38 PM
Our new paper, MARCUS, is now published @digital-discovery.rsc.org !
Paper: doi.org/10.1039/D5DD...
We built MARCUS - a free, open-source AI platform that extracts the millions of chemical structures trapped in PDFs in minutes instead of hours.
#Opensource #Opendata #OpenScience #CompChem
Paper: doi.org/10.1039/D5DD...
We built MARCUS - a free, open-source AI platform that extracts the millions of chemical structures trapped in PDFs in minutes instead of hours.
#Opensource #Opendata #OpenScience #CompChem
Our new paper now 🎉 Published: Cheminformatics Microservice V3!
Paper: doi.org/10.1186/s133...
🛠️ Web app + API: RDKit, CDK, Open Babel — NO install, 100% open-source.
Try now: app.naturalproducts.net
#Cheminformatics #OpenScience #Innovation #CompChem #Opensource
Paper: doi.org/10.1186/s133...
🛠️ Web app + API: RDKit, CDK, Open Babel — NO install, 100% open-source.
Try now: app.naturalproducts.net
#Cheminformatics #OpenScience #Innovation #CompChem #Opensource
Cheminformatics Microservices UI
Cheminformatics Microservices UI - A modern interface for chemical data analysis
app.naturalproducts.net
September 23, 2025 at 1:45 PM
Our new paper now 🎉 Published: Cheminformatics Microservice V3!
Paper: doi.org/10.1186/s133...
🛠️ Web app + API: RDKit, CDK, Open Babel — NO install, 100% open-source.
Try now: app.naturalproducts.net
#Cheminformatics #OpenScience #Innovation #CompChem #Opensource
Paper: doi.org/10.1186/s133...
🛠️ Web app + API: RDKit, CDK, Open Babel — NO install, 100% open-source.
Try now: app.naturalproducts.net
#Cheminformatics #OpenScience #Innovation #CompChem #Opensource
New Preprint Alert!
We're happy to share our new work, MARCUS! #ChemRxiv
This is a web platform for extracting chemical information from scientific papers.
📄 Preprint: doi.org/10.26434/che...
🔗 Try it out: marcus.decimer.ai
#AIinScience #Opensource #ResearchTools #Cheminformatics #OpenScience
We're happy to share our new work, MARCUS! #ChemRxiv
This is a web platform for extracting chemical information from scientific papers.
📄 Preprint: doi.org/10.26434/che...
🔗 Try it out: marcus.decimer.ai
#AIinScience #Opensource #ResearchTools #Cheminformatics #OpenScience
July 24, 2025 at 3:46 PM
New Preprint Alert!
We're happy to share our new work, MARCUS! #ChemRxiv
This is a web platform for extracting chemical information from scientific papers.
📄 Preprint: doi.org/10.26434/che...
🔗 Try it out: marcus.decimer.ai
#AIinScience #Opensource #ResearchTools #Cheminformatics #OpenScience
We're happy to share our new work, MARCUS! #ChemRxiv
This is a web platform for extracting chemical information from scientific papers.
📄 Preprint: doi.org/10.26434/che...
🔗 Try it out: marcus.decimer.ai
#AIinScience #Opensource #ResearchTools #Cheminformatics #OpenScience
🚨 NEW: Cheminformatics Microservice V3!
✨ Features: RDKit/CDK/OpenBabel integration, interactive structure editor, PubChem access & more
📄 Preprint: doi.org/10.26434/che...
🌐 Try it: app.naturalproducts.net
#Cheminformatics #Opensource #compchem
✨ Features: RDKit/CDK/OpenBabel integration, interactive structure editor, PubChem access & more
📄 Preprint: doi.org/10.26434/che...
🌐 Try it: app.naturalproducts.net
#Cheminformatics #Opensource #compchem
Cheminformatics Microservices UI
Cheminformatics Microservices UI - A modern interface for chemical data analysis
app.naturalproducts.net
June 6, 2025 at 8:08 AM
🚨 NEW: Cheminformatics Microservice V3!
✨ Features: RDKit/CDK/OpenBabel integration, interactive structure editor, PubChem access & more
📄 Preprint: doi.org/10.26434/che...
🌐 Try it: app.naturalproducts.net
#Cheminformatics #Opensource #compchem
✨ Features: RDKit/CDK/OpenBabel integration, interactive structure editor, PubChem access & more
📄 Preprint: doi.org/10.26434/che...
🌐 Try it: app.naturalproducts.net
#Cheminformatics #Opensource #compchem
Reposted by Kohulan Rajan
For people concerned about this, @macinchem.bsky.social has written a blog post on how to create and work with a local mirror of the PubChem Compound data.
macinchem.org/2025/02/17/s...
macinchem.org/2025/02/17/s...
Searching a local copy of PubChem – Macs in Chemistry
macinchem.org
March 2, 2025 at 4:40 PM
For people concerned about this, @macinchem.bsky.social has written a blog post on how to create and work with a local mirror of the PubChem Compound data.
macinchem.org/2025/02/17/s...
macinchem.org/2025/02/17/s...
🚀 The International Workshop on Open Molecular Informatics (IWOMI) returns!
Join us May 12-16, 2025, to explore curating open molecular data with multimodal LLMs. IWOMI is a small, interactive workshop on open data.
📝 Register: iwomi.net/?page_id=1123
#IWOMI2025 #OpenScience #LLM #OpenSource
Join us May 12-16, 2025, to explore curating open molecular data with multimodal LLMs. IWOMI is a small, interactive workshop on open data.
📝 Register: iwomi.net/?page_id=1123
#IWOMI2025 #OpenScience #LLM #OpenSource
International Workshop on Open Molecular Informatics (IWOMI) – Getting things done for open science
iwomi.net
February 28, 2025 at 7:23 AM
🚀 The International Workshop on Open Molecular Informatics (IWOMI) returns!
Join us May 12-16, 2025, to explore curating open molecular data with multimodal LLMs. IWOMI is a small, interactive workshop on open data.
📝 Register: iwomi.net/?page_id=1123
#IWOMI2025 #OpenScience #LLM #OpenSource
Join us May 12-16, 2025, to explore curating open molecular data with multimodal LLMs. IWOMI is a small, interactive workshop on open data.
📝 Register: iwomi.net/?page_id=1123
#IWOMI2025 #OpenScience #LLM #OpenSource
It usually takes me 10-20 minutes to find a movie I haven't seen and want to watch on one of the many streaming platforms I pay for (too many!).
That’s why I made www.whichmovieto.watch
✅ Instantly find the perfect movie
📍 Geo-location-based recommendations
#Opensource
github.com/Kohulan/Whic...
That’s why I made www.whichmovieto.watch
✅ Instantly find the perfect movie
📍 Geo-location-based recommendations
#Opensource
github.com/Kohulan/Whic...
Which Movie To Watch - Find Your Next Movie
Discover your next favorite movie! Get personalized movie recommendations based on your streaming services and preferences. Free and paid movie suggestions available.
www.whichmovieto.watch
February 12, 2025 at 9:41 PM
It usually takes me 10-20 minutes to find a movie I haven't seen and want to watch on one of the many streaming platforms I pay for (too many!).
That’s why I made www.whichmovieto.watch
✅ Instantly find the perfect movie
📍 Geo-location-based recommendations
#Opensource
github.com/Kohulan/Whic...
That’s why I made www.whichmovieto.watch
✅ Instantly find the perfect movie
📍 Geo-location-based recommendations
#Opensource
github.com/Kohulan/Whic...
🎄Christmas Release: Ending the year with one last paper from our team 🎄
STOUT V2.0: SMILES to IUPAC name conversion using transformer models
Paper: doi.org/10.1186/s133...
Web application: stout.decimer.ai
#OpenScience #ResearchTools #DrugDiscovery #OpenSource #Chemistry #AI #IUPAC #STOUTV2
STOUT V2.0: SMILES to IUPAC name conversion using transformer models
Paper: doi.org/10.1186/s133...
Web application: stout.decimer.ai
#OpenScience #ResearchTools #DrugDiscovery #OpenSource #Chemistry #AI #IUPAC #STOUTV2
LinkedIn
This link will take you to a page that’s not on LinkedIn
lnkd.in
December 29, 2024 at 9:52 AM
🎄Christmas Release: Ending the year with one last paper from our team 🎄
STOUT V2.0: SMILES to IUPAC name conversion using transformer models
Paper: doi.org/10.1186/s133...
Web application: stout.decimer.ai
#OpenScience #ResearchTools #DrugDiscovery #OpenSource #Chemistry #AI #IUPAC #STOUTV2
STOUT V2.0: SMILES to IUPAC name conversion using transformer models
Paper: doi.org/10.1186/s133...
Web application: stout.decimer.ai
#OpenScience #ResearchTools #DrugDiscovery #OpenSource #Chemistry #AI #IUPAC #STOUTV2
Just started an account here and announcing our new paper!
Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.
paper: doi.org/10.1093/nar/...
#NaturalProducts #OpenScience #ResearchTools #DrugDiscovery #OpenSource #COCONUT2 #compchem #database
Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.
paper: doi.org/10.1093/nar/...
#NaturalProducts #OpenScience #ResearchTools #DrugDiscovery #OpenSource #COCONUT2 #compchem #database
COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database
Abstract. The COCONUT (COlleCtion of Open Natural prodUcTs) database was launched in 2021 as an aggregation of openly available natural product datasets an
doi.org
November 28, 2024 at 4:35 AM
Just started an account here and announcing our new paper!
Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.
paper: doi.org/10.1093/nar/...
#NaturalProducts #OpenScience #ResearchTools #DrugDiscovery #OpenSource #COCONUT2 #compchem #database
Our COCONUT (COlleCtion of Open Natural prodUcTs) 2.0 paper is now officially online on NAR journal.
paper: doi.org/10.1093/nar/...
#NaturalProducts #OpenScience #ResearchTools #DrugDiscovery #OpenSource #COCONUT2 #compchem #database