training manual
AI-guided Antibiotic Discovery Pipeline from Target Selection to Compound Identification
Schuh, Maximilian G., Hesse, Joshua, Sieber, Stephan A.
Antibiotic resistance presents a growing global health crisis, demanding new therapeutic strategies that target novel bacterial mechanisms. Recent advances in protein structure prediction and machine learning-driven molecule generation offer a promising opportunity to accelerate drug discovery. However, practical guidance on selecting and integrating these models into real-world pipelines remains limited. In this study, we develop an end-to-end, artificial intelligence-guided antibiotic discovery pipeline that spans target identification to compound realization. We leverage structure-based clustering across predicted proteomes of multiple pathogens to identify conserved, essential, and non-human-homologous targets. We then systematically evaluate six leading 3D-structure-aware generative models$\unicode{x2014}$spanning diffusion, autoregressive, graph neural network, and language model architectures$\unicode{x2014}$on their usability, chemical validity, and biological relevance. Rigorous post-processing filters and commercial analogue searches reduce over 100 000 generated compounds to a focused, synthesizable set. Our results highlight DeepBlock and TamGen as top performers across diverse criteria, while also revealing critical trade-offs between model complexity, usability, and output quality. This work provides a comparative benchmark and blueprint for deploying artificial intelligence in early-stage antibiotic development.
Warn your children: Robots and AI are coming for their careers
For five years or so, I have been running around as a pale imitation of Paul Revere, yelling, "The robots are coming! At schools, social settings, with family and friends, or even to complete strangers with whom I fell into conversations, I have uttered the same warning: "It's critical that you or your children identify a career -- now -- that won't be taken over by robots and artificial intelligence." My particular midnight ride started well before the pandemic reared its ugly head. But the pandemic may have planted a seed in the minds of certain CEOs that human beings are the weakest link on their chain to profit and prosperity. When the first "Terminator" movie was released -- eerily enough, in 1984 -- the world was introduced to Cyberdyne Systems and its "Skynet" artificial superintelligence system, which not only gained self-awareness but realized it could do everything infinitely faster and better than its human creators. Well, ever since that movie got people asking, "What if," the fictional theme -- and warnings about AI -- have been morphing into reality. The latest example of a technology poised to replace a human workforce is ChatGPT, the chatbot auto-generative system created by Open AI for online customer care. It is a pre-trained generative chat, which makes use of natural language processing, or NLP. The source of its data is textbooks, websites and various articles, which it uses to model its own language for responding to human interaction. It's certainly not a stretch to believe that any number of CEOs might think, "Interestingโฆ A self-teaching artificial intelligence system that won't call in sick, doesn't need to be fed or to take bathroom breaks, does not require health care, but can and will work 24/7/365." Not shockingly, it has been reported that Microsoft, which is laying off 10,000 people, announced a "multiyear, multibillion-dollar investment" in this revolutionary technology, which apparently is growing smarter by the day. Pengcheng Shi, an associate dean in the Department of Computing and Information Sciences at Rochester Institute of Technology, warned in an interview with the New York Post: "AI is replacing the white-collar workers.
Generating a Flask REST API with ChatGPT: A Step-by-Step Guide
API development can be a time-consuming and complex task, but it doesn't have to be. With the advancements in natural language processing and machine learning, we now have access to tools like ChatGPT that can greatly simplify the process. In this blog post, we'll be taking a step-by-step approach to using ChatGPT to generate a Flask REST API. We'll cover everything from setting upโฆ
NLP Foundations - blackfree
Let's understand NLP and get all fundamental skills from SCRATCH! In this course you are invited to learn all the fundamental skills ... In this course you are invited to learn all the fundamental skills required in any kind of activity related to the Natural Language Processing and you will learn them from a theoretical and practical point of view, in fact you will seat together with me coding and implementing any topic step-by-step, instruction after instruction. Any of these projects will be a real and working use case so you will be able to re-use them in your own apps. In few words, this course is a real journey inside Natural Language Processing starting from the very beginning and finishing with the idea that all modern systems are leveraging: word embeddings. We are exploring NLU, NLG, NLP History, applications and use cases, studing Tokenization, Stopwords, Stemming, Lemmatization, PoS, NER, BoW, TF-IDF and Embeddings.
A step-by-step guide to using MLFlow Recipes to refactor messy notebooks
Code repository for this post is here: you can see the MLFlow Recipes template in the main branch and the filled-in template on the fill-in-steps branch. The announcement of MLFlow 2.0 included a new framework called MLFlow Recipes. For a Data Scientists, using MLFlow Recipes means cloning a git repository, or "template", that comes with a ready-to-go folder structure for any regression or binary classification problem. This folder structure includes everything, from library requirements, configuration, notebooks and tests, that's needed to make a data science project reproducible and production-ready. It's easy to start a new project with MLFlow Recipes -- git clone a template from the MLFlow repository, and you are good to go.
Step-by-Step Guide to Overcoming the Sparsity Challenge in Machine Learning Datasets
Sparse datasets are a common problem in machine learning, where many examples have a large number of missing or zero-valued features. This can lead to poor model performance and reduced interpretability of the results. In this article, we will provide a step-by-step guide on how to address the sparsity challenge in datasets, with a focus on real-world application. The first step in resolving the sparsity challenge is to understand why your dataset is sparse in the first place. Sparsity can be caused by the presence of irrelevant features, missing data, or categorical variables with a large number of levels.
Building custom language models to supercharge speech-to-text performance for Amazon Transcribe
Amazon Transcribe is a fully-managed automatic speech recognition service (ASR) that makes it easy to add speech-to-text capabilities to voice-enabled applications. As our service grows, so does the diversity of our customer base, which now spans domains such as insurance, finance, law, real estate, media, hospitality, and more. Naturally, customers in different market segments have asked Amazon Transcribe for more customization options to further enhance transcription performance. We're excited to introduce Custom Language Models (CLM). The new feature allows you to submit a corpus of text data to train custom language models that target domain-specific use cases. Using CLM is easy because it capitalizes on existing data that you already possess (such as marketing assets, website content, and training manuals). In this post, we show you how to best use your available data to train a custom language model tailored for your speech-to-text use case. Although our walkthrough uses a transcription example from the video gaming industry, you can use CLM to enhance custom speech recognition for any domain of your choosing. This post assumes that you're already familiar with how to use Amazon Transcribe, and focuses on demonstrating how to use the new CLM feature.
Artificial Intelligence Masterclass
Online Courses Udemy Enter the new era of Hybrid AI Models optimized by Deep NeuroEvolution, with a complete toolkit of ML, DL & AI models Created by Hadelin de Ponteves, Kirill Eremenko, SuperDataScience Team English, Italian [Auto-generated] Students also bought Artificial Intelligence: Reinforcement Learning in Python Machine Learning and AI: Support Vector Machines in Python Advanced AI: Deep Reinforcement Learning in Python Ensemble Machine Learning in Python: Random Forest, AdaBoost Deep Learning: Advanced Computer Vision (GANs, SSD, More!) Preview this course GET COUPON CODE Description Today, we are bringing you the king of our AI courses...: The Artificial Intelligence MASTERCLASS Are you keen on Artificial Intelligence? Do want to learn to build the most powerful AI model developed so far and even play against it? Sounds tempting right... Then Artificial Intelligence Masterclass course is the right choice for you. This ultimate AI toolbox is all you need to nail it down with ease. You will get 10 hours step by step guide and the full roadmap which will help you build your own Hybrid AI Model from scratch.
Machine Learning Puts New Lens on #IoT. A Step-by-Step Guide to #Azure #MachineLearning
Healthcare organizations need predictive analytics for providing quality healthcare and population health management. Building predictive models by applying machine learning algorithms is complex in the infrastructure-as-a-service or platform-as-as-a-service environment as it involves distributed computing. The emergence of predictive analytics in the healthcare industry has offered enormous opportunity to be able to predict the events in healthcare organization and other industries as well such as aerospace industry. Predictive analytics is a subfield of data science that deploys several multi-disciplinary fields such as statistical inference, machine learning, clustering, data visualization, and machine learning iteratively through the lifecycle of the data analytics. The stages can be defined as defining the problem statement for the organization, scope of the data analytics project, collection of big data, exploratory data analysis, data preparation, deployment of predictive models leveraging machine learning algorithms.