Industrial Training Program

The MolSSI Industrial Training Program offers a wide range of comprehensive hands-on workshops and university curricula in Software Engineering, Artificial Intelligence, Machine Learning, Data Science and High-Performance Computing. With more than 5 years of experience in serving researchers and engineers across all domains of STEM, we strive to promote and lead our community best practices according to the latest technological and industrial advancements and the highest scientific standards.

In collaboration with our industrial partners, we have trained and certified a national and international community of hundreds of scientists and researchers comprised of undergraduate and graduate students, postdocs and faculty from academia, national labs and industry. Our MolSSI, Intel and NVIDIA certifications will boost your resume and give you the confidence you need for your dream job interview. Read our past trainees’ testimonials!

In order to continue our commitment and services to the community, we offer a series of our certified courses for free, mostly in major national technological and scientific events and venues such as American Chemical Society. If you are interested to make these trainings available to your employees or students, please contact us.


The MolSSI’s Python Data and Scripting Workshop course gives you a comprehensive hands-on experience and solid background in Python programming which prepares you for the everyday challenges in your current or future job in industry and academia. Our Best Practices workshop will complement these practical skills with key software development concepts to improve the productivity, reproducibility, portability, and interoperability of your scientific codes.

Read more about the MolSSI workshops

The MolSSI AI initiative contributions to Industrial Training Program focus on advanced applications of artificial intelligence, machine learning, and deep learning in computational molecular and materials sciences

Read more about the MolSSI AI workshops

In collaboration with NVIDIA Deep Learning Institute (NVIDIA-DLI), MolSSI offers the following instructor-led hands-on workshops in High-Performance Computing, Data Science, Artificial Intelligence and Machine Learning.

Armed with Intel oneAPI Toolkits and various accelerator architectures such as CPUs, GPUs and FPGAs on Intel Developer Cloud, we present a wide range of training courses in high-performance computing and artificial intelligence.

Read more about Intel workshops provided by the MolSSI
Basics of Accelerated Computing with Intel OpenMP GPU Offload

Basics of Accelerated Computing with Intel OpenMP GPU Offload

Join Molecular Sciences Software Institute (MolSSI) and Intel for the upcoming hands-on Basics of Accelerated Computing with Intel OpenMP GPU Offload virtual workshop:...
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Fundamentals of Data-Parallel C++ and SYCL

Fundamentals of Data-Parallel C++ and SYCL

The Molecular Sciences Software Institute (MolSSI) and Intel invite you to register for the upcoming Fundamentals of Data-Parallel C++ and SYCL workshop: Registration:...
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MolSSI/NVIDIA Certified Hands-on Workshops in HPC and ML

MolSSI/NVIDIA Certified Hands-on Workshops in HPC and ML

The Molecular Sciences Software Institute (MolSSI) and NVIDIA Deep Learning Institute (DLI) invite you to register for upcoming hands-on on workshops in high-performance computing...
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