Hyderabad Telangana Computational modeling Jobs – 29 Open Jobs Today

Scientist (AI Modeling for Computational Sciences)
Aganitha AI —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- Machine learning
Computational Modeling Engineer
Recruise —Hyderabad, Telangana
- ₹10 - ₹35 a year
- Full-time
- Doctoral degree
- Research
- Master's degree
Quick apply
11d
Computational Modeling Engineer – Process Modeling
Eli Lilly —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Master's degree
- APIs
10d
Computational Modeling Engineer – Discrete Manufacturing Modeling
Eli Lilly —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- Master's degree
11d
Scientist (Multi-scale Modeling: Coarse-Grained & Mesoscale)
Aganitha AI —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- AI
Copy of CFD & Aerodynamic Engineer (AI Training & Evaluation)
Lifted, an Upwork Company™ —Hyderabad, Telangana
- ₹80 - ₹110 an hour
- Remote
- English
- Research
- Bachelor's degree
- Flexible schedule
Quick apply
Senior Data Scientist, Computational Biology
Amgen —Hyderabad, Telangana
- English
- Master's degree
- Machine learning
Bioinformatics Scientist
Amgen —Hyderabad, Telangana
- Doctoral degree
- Research
- Java
Data Scientist
Amgen —Hyderabad, Telangana
- Azure
- Computer Science
- B.Sc
Agentic AI Lead – Protein Design & Molecular Engineering
Amgen —Hyderabad, Telangana
- Computer science
- Doctoral degree
- Research
Director, Computational Biology, Precision Medicine
Amgen —Hyderabad, Telangana
- Doctoral degree
- English
- Machine learning
Specialist Scrum Master
Amgen —Hyderabad, Telangana
- Night shift
- Computer science
- DevOps
- Research
Scientist (Statistical Genomics)
Aganitha AI —Hyderabad, Telangana
- Full-time
- Azure
- Doctoral degree
- AWS
Data Scientist II, AB Ops Analytics
Amazon Dev Center India - Hyderabad —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Master's degree
- SQL
Scientist (QM applications for Catalysis & Materials)
Aganitha AI —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- Analysis skills
AI Engineer –BIM Geometry Automation
Nexifyr Consulting Pvt Ltd —Hyderabad, Telangana
- Full-time
- Remote
- Civil engineering
- CAD
- Master's degree
Quick apply
GIS Engineer
Kumaran Systems —Hyderabad, Telangana
- Full-time
- Oracle
- SQL
- JavaScript
12d
Sr Associate Data Scientist
Amgen —Hyderabad, Telangana
- Azure
- Computer Science
- B.Sc
Senior Data Scientist
Amgen —Hyderabad, Telangana
- Master's degree
- AWS
- Machine learning
Senior Expert II Data Scientist
Novartis —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- Machine learning

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Scientist (AI Modeling for Computational Sciences)

Aganitha AI
Hyderabad, Telangana

Apply Now

Job details

Full-time

Qualifications

TensorFlow
Operating systems
Doctoral degree
Software deployment
Fedora
Research
Docker
Debian
Machine learning
Ubuntu
Scripting
CentOS
Linux
Keras
AI
Communication skills
Python
Shell Scripting

Full job description

Join us and contribute to the discovery of medicines that will impact lives!

Hyderabad, India | Hybrid | Full-Time

About Aganitha

High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry.

As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications.

You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha.

To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth.

Key Responsibilities

Design and develop AI/ML models to solve complex problems, such as predicting molecular properties, material behaviors, or reaction outcomes.
Develop and apply in silico methods to design and optimize therapeutic candidates, including antibodies, RNA molecules, and viral vectors, and leverage bioinformatics tools, biological databases, and AI/ML approaches for biological data analysis and predictive modeling.
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, 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, and relevant scientific domains, continuously seeking opportunities to apply new methodologies.

Qualifications

PhD, post-doctoral research experience, or equivalent advanced studies across scientific disciplines. Preferably in domains like Biochemistry, Computational Biology, Bioinformatics, Computational Chemistry, Cheminformatics, Materials Science, Chemical Engineering, Computational Physics, Medicinal Chemistry, Applied Mathematics, Applied Statistics, Fluid Dynamics, or closely related areas.
Proficiency in modular, typed, and object-oriented Python programming.
A high-level understanding of the ML/DL project lifecycle, from data preparation and feature engineering through model development, training, evaluation, and deployment.
Excellent problem-solving skills and the ability to apply critical thinking to complex scientific and technical challenges.
Strong verbal and written communication skills, with the ability to effectively communicate technical concepts to diverse audiences.

Nice to Have

Experience in effectively building and deploying ML solutions using popular frameworks such as PyTorch, TensorFlow, Keras, or scikit-learn.
Proficiency in shell scripting.
Proficiency in working with Linux-based operating systems (e.g., Ubuntu, Fedora, CentOS, Debian).

Big Plus

Exposure to large language models (LLMs) such as ChatGPT, Claude, or Gemini, and practical experience in utilizing such tools for day-to-day work (e.g., writing research reports, understanding new concepts, generating code).
Experience in optimal usage of High Performance Computing (HPC) resources.
Familiarity with container-based usage of software and their dependencies (e.g., Docker).

Apply Now

Refine Your Search

computational modeling jobs in hyderabad telangana

Scientist (AI Modeling for Computational Sciences)

Computational Modeling Engineer

Computational Modeling Engineer – Process Modeling

Computational Modeling Engineer – Discrete Manufacturing Modeling

Scientist (Multi-scale Modeling: Coarse-Grained & Mesoscale)

Copy of CFD & Aerodynamic Engineer (AI Training & Evaluation)

Senior Data Scientist, Computational Biology

Bioinformatics Scientist

Data Scientist

Agentic AI Lead – Protein Design & Molecular Engineering

Director, Computational Biology, Precision Medicine

Specialist Scrum Master

Scientist (Statistical Genomics)

Data Scientist II, AB Ops Analytics

Scientist (QM applications for Catalysis & Materials)

AI Engineer –BIM Geometry Automation

GIS Engineer

Sr Associate Data Scientist

Senior Data Scientist

Senior Expert II Data Scientist

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Join us and contribute to the discovery of medicines that will impact lives!

Hyderabad, India | Hybrid | Full-Time

About Aganitha

Key Responsibilities

Qualifications

Nice to Have

Big Plus

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