Enthought | Generative AI in Materials Science and Chemistry

From Data to Discovery: Exploring the Potential of Generative Models in Materials Informatics Solutions

Jun 30, 2023

Generative models can be used in many more areas than just language generation, with one particularly promising area: molecule generation for chemical product development.

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7 Pro-Tips for Scientists: Using LLMs to Write Code

Jul 11, 2023

Scientists gain superpowers when they learn to program. Programming makes answering whole classes of questions easy and new classes of questions become possible to answer. If you have some programming experience, large language models (LLMs) can raise the ceiling of your performance and productivity. Using LLMs to write code turns a challenging recall task (What’s…

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The Importance of Large Language Models in Science Even If You Don’t Work With Language

Jun 11, 2023

OpenAI’s ChatGPT, Google’s Bard, and other similar Large Language Models (LLMs) have made dramatic strides in their ability to interact with people using natural language. Users can describe what they want done and have the LLM “understand” and respond appropriately. 

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4 Reasons to Learn Xarray and Awkward Array—for NumPy and Pandas Users

Jun 5, 2023

You know it. We know it. NumPy is cool. Pandas is cool. We can bend them to our will, but sometimes they’re not the right tools for the job. Enter Xarray and Awkward Array. Read on for the four reasons why you need to learn these Python packages.   Reason 1:  You need labeled arrays of…

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Enthought | Pharma and BioPharma

Leveraging AI in Cell Culture Analysis

Mar 22, 2023

Mammalian cell culture is a fundamental tool for many discoveries, innovations, and products in the life sciences.

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7 Lesser-Known Command Line Tools That Ship with Python

Apr 10, 2023

Like most people, I mostly interact with Python using the default REPL or with IPython. Yet, I often reach for one of the Python tools that come with the standard library. All these tools are implemented as “mains” in the various scripts and modules. Here are 7 I use on a semi-regular basis. 1. &…

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ChatGPT on Software Engineering

Mar 7, 2023

Recently, I’ve been working on a new course offering in Enthought Academy titled Software Engineering for Scientists and Engineers course. I’ve focused on distilling the software engineering best practices that we use at Enthought with our clients, with the twist of “what parts are most useful for a scientist who writes software for R&D?” After…

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Enthought | Scientific Data

Extracting Value from Scientific Data to Accelerate Discovery and Innovation

Feb 1, 2023

In the digital era, robust data tools are crucial for all companies and the science-driven industries like the life sciences, materials science, and chemistry are no exception.

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What’s in a __name__?

Feb 7, 2023

if __name__ == “__main__”: When I was new to Python, I ran into a mysterious block of code that looked something like: def main():     # do some stuff if __name__ == “__main__”:     main() Looking at the code, I could see that it ran the main() function after checking the status of…

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Retuning the Heavens: Machine Learning and Ancient Astronomy

Nov 1, 2022

What can we learn about machine learning from ancient astronomy? When thinking about Machine Learning it is easy to be model-centric and get caught up in the details of getting a new model up and running: preparing a dataset for machine learning, partitioning the training and test data, engineering features, selecting features, finding an appropriate…

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