CH-457: AI for chemistry

Summary

The AI for Chemistry course will focus on teaching students how to use machine learning algorithms and techniques to analyze and make predictions about chemical data. The course will cover topics such as the basics of machine learning, common algorithms and their applications in chemistry.

Official source

https://edu.epfl.ch/coursebook/en/ai-for-chemistry-CH-457

Moodle Page

http://go.epfl.ch/CH-457

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Related concepts (91)

Related courses (40)

Related MOOCs (34)

Machine learning

Machine learning (ML) is an umbrella term for solving problems for which development of algorithms by human programmers would be cost-prohibitive, and instead the problems are solved by helping machines 'discover' their 'own' algorithms, without needing to be explicitly told what to do by any human-developed algorithms. Recently, generative artificial neural networks have been able to surpass results of many previous approaches.

Programming language

A programming language is a system of notation for writing computer programs. Most programming languages are text-based formal languages, but they may also be graphical. They are a kind of computer language. The description of a programming language is usually split into the two components of syntax (form) and semantics (meaning), which are usually defined by a formal language. Some languages are defined by a specification document (for example, the C programming language is specified by an ISO Standard) while other languages (such as Perl) have a dominant implementation that is treated as a reference.

Python (programming language)

Python is a high-level, general-purpose programming language. Its design philosophy emphasizes code readability with the use of significant indentation. Python is dynamically typed and garbage-collected. It supports multiple programming paradigms, including structured (particularly procedural), object-oriented and functional programming. It is often described as a "batteries included" language due to its comprehensive standard library.

C (programming language)

C (pronounced 'siː – like the letter c) is a general-purpose computer programming language. It was created in the 1970s by Dennis Ritchie, and remains very widely used and influential. By design, C's features cleanly reflect the capabilities of the targeted CPUs. It has found lasting use in operating systems, device drivers, protocol stacks, though decreasingly for application software. C is commonly used on computer architectures that range from the largest supercomputers to the smallest microcontrollers and embedded systems.

Artificial neural network

Artificial neural networks (ANNs, also shortened to neural networks (NNs) or neural nets) are a branch of machine learning models that are built using principles of neuronal organization discovered by connectionism in the biological neural networks constituting animal brains. An ANN is based on a collection of connected units or nodes called artificial neurons, which loosely model the neurons in a biological brain. Each connection, like the synapses in a biological brain, can transmit a signal to other neurons.