Job Description

🌟 Exciting Opportunity for PhD Scholars and Postdocs in Computational Sciences!

Are you a PhD student or Postdoc eager to learn AI and apply it to advance science?
Aganitha.ai is offering a comprehensive training-cum-internship program tailored for aspiring researchers from disciplines such as Computational Chemistry, Cheminformatics, Materials Science, Chemical Engineering, Biochemistry, Biophysics, Computational Biology, Bioinformatics, Computational Physics, (In)Organic Chemistry, Medicinal Chemistry, Applied Mathematics, Applied Statistics, Fluid Dynamics, or other closely related scientific fields.

🔬 About Aganitha: https://www.aganitha.ai/

🧬 What You’ll Do
As a Scientist at Aganitha, you will work on in-silico discovery and modeling projects that combine omics data, AI, and molecular insights. Your work will help identify new drug targets, uncover disease mechanisms, and optimize therapeutic candidates & formulations.

Key Responsibilities:
– Design and develop AI/ML models to solve complex problems such as predicting molecular properties, material behaviors, or reaction outcomes.
– Curate, process, and analyze scientific datasets from various sources, including literature and experimental data, ensuring data quality and readiness for model training.
– Develop intelligent featurization strategies that accurately represent chemical structures, physical properties, or biological interactions, drawing upon your scientific understanding.
– Implement, train, and evaluate cutting-edge Machine Learning and Deep Learning algorithms (e.g., CNNs, RNNs, LSTMs, Transformer architectures) to build robust predictive models.
– Rigorously validate models against client-provided data and established benchmarks, ensuring their accuracy, generalizability, and utility.
– Translate complex technical and scientific findings into clear, actionable insights for both technical and non-technical stakeholders.
– Collaborate effectively with computational chemists/biologists, data scientists, and wet lab scientists to define project requirements, iterate on solutions, and ensure successful deployment.
– Stay abreast of the latest advancements in AI/ML, computational chemistry/biology/biophysics, and relevant scientific domains, continuously seeking opportunities to apply new methodologies.

📘 What You’ll Learn
As a trainee, you will gain hands-on experience with the latest AI modeling techniques through real-world scientific projects. you will become proficient in:
🔥 Deep Learning Frameworks: PyTorch
📊 Machine Learning and Data Exploration: Python, Scikit-learn
🤖 LLM-Powered AI Agents
⚙️ MLOps Tools: ClearML, MLFlow
You will also develop essential modern data science skills, including:
🛠️ Typed and Modular Python Programming
🌐 Building and Serving REST APIs
🚀 DevOps for Hosting Models and Applications

📩 How to Apply: https://lnkd.in/gHasnEP8