A series of open-source ML projects for molecular safety, toxicity and odour prediction.
Hariprasad Sundaresan PRO
Hari5115
AI & ML interests
LLMs, Fine-tuning, Agentic AI, RAG, Multilingual NLP, Transformers
Recent Activity
updated a Space 2 days ago
Hari5115/neon-pop published a Space 2 days ago
Hari5115/neon-pop posted an update 3 days ago
How do scientists know if a new chemical is toxic before testing it on anything alive ?
For decades: animal studies. Slow, expensive, ethically complicated.
Tox21 changed that ā a government-backed initiative screening 10,000 compounds across 12 biochemical assays, testing whether molecules activate receptors linked to cancer, hormonal disruption, and organ damage.
I trained a model on this data and published everything under MIT ā free for research, education, and building.
š¬ https://huggingface.co/Hari5115/molecular-toxicity-predictor
š¦ https://huggingface.co/datasets/Hari5115/MoleculeIQ
š https://huggingface.co/spaces/Hari5115/molecular-toxicity-demo
ā ļø Research and educational use only. Not a substitute for certified toxicological testing. Model has known limitations on novel chemical classes ā see model card for details.
What would you build with this? š
#OpenSource #DrugDiscovery #ChemInformatics #Tox21 #HuggingFaceOrganizations
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