Industrial Training Program

The MolSSI Industrial Training Program offers a wide range of comprehensive hands-on training activities such as instructor-led workshops, bootcamps, learning paths, hackathons, and semester-long for-credit 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 industrial certifications, which are directly issued by the MolSSI or partner companies, 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 in-person certified courses for free, often through major national technological and scientific events and venues such as American Chemical Society. We also conduct several virtual workshops quarterly which are often announced on the MolSSI website and through out email-list. If you are interested to make these trainings available to your employees or students, please submit a training request form.


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

In collaboration with Wolfram Corporation, MolSSI offers a wide range of interdisciplinary hands-on workshops at the intersection of applied mathematics, chemistry and physics.

Read more about Wolfram workshops provided by the MolSSI

With more than 25 years of experience in education around the world, Oracle’s global philanthropic educational program, Oracle Academy, has partnered with MolSSI to offer hands-on training on the latest technological trends. Our topics cover cloud computation, artificial intelligence, machine learning, data science and more.

Read more about Oracle Academy workshops provided by the MolSSI

  • The list of courses coming soon.
Hands-on Fundamentals of Accelerated Computing with CUDA C/C++ Workshop

Hands-on Fundamentals of Accelerated Computing with CUDA C/C++ Workshop

NVIDIA Deep Learning Institute (DLI) is conducting a series of free virtual workshops for academia and higher education in the...
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Basics of Accelerated Computing with Intel OpenMP GPU Offload

Basics of Accelerated Computing with Intel OpenMP GPU Offload

The Molecular Sciences Software Institute (MolSSI) and Intel invite you to attend our hands-on Basics of Accelerated Computing with Intel...
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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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