7 Must-Know Machine Learning Libraries in 2025

Updated June 3, 2025

Machine learning (ML) is revolutionizing industries, driving advancements in healthcare, finance, retail, and beyond. From personalized recommendations to fraud detection, ML has become an essential tool for solving complex problems and enhancing decision-making.

However, selecting the right libraries for your team can be daunting. With countless options available, finding the right fit for your tech toolset — or replacing underperforming tools — can feel overwhelming and might even stall the growth of your enterprise’s ML program.

Python serves as a go-to language for machine learning and data science, thanks to its extensive library ecosystem. Whether you’re building predictive models or exploring deep learning, you must identify the right Python libraries to empower your team and future-proof your ML infrastructure. 

Anaconda simplifies the process of adopting and managing these libraries. With its pre-configured environments and seamless integration with Python, Anaconda ensures your team can focus on innovation rather than setup, making it an invaluable tool for streamlining ML adoption.

To help the decision-making process, this guide presents a curated list of top ML libraries, their applications, and how tools like Anaconda can streamline adoption.

1. scikit-learn


Best suited for: Classical machine learning tasks such as data preprocessing, model selection, and evaluation.

Example use case: Companies often use scikit-learn for customer segmentation or recommendation systems, helping them better understand and meet customers’ needs.scikit-learn is one of the most widely used libraries for implementing ML algorithms. Its simple and efficient design makes it an ideal choice for tasks ranging from exploratory data analysis to building predictive models. scikit-learn integrates seamlessly with other Python tools like NumPy and pandas, making it a cornerstone of many data science workflows. For teams looking to set up scikit-learn quickly and ensure compatibility across environments, Anaconda provides a user-friendly way to manage the library alongside other tools.

2. PyTorch


Best suited for: Deep learning, especially tasks requiring dynamic computational graphs and GPU acceleration.

Example use case: Data scientists and developers leverage PyTorch to build advanced natural language processing (NLP) models, train convolutional neural networks for image recognition, or explore reinforcement learning algorithms.PyTorch has quickly become a favorite among researchers and developers for its flexibility and robust support for deep learning. Its dynamic graph structure allows users to modify networks on the fly, making it highly intuitive for debugging and experimentation. The library also boasts a strong community, providing many tips, tutorials, and resources for beginners and experts alike. To streamline the setup process, PyTorch is readily available via Anaconda.

3. XGBoost


Best suited for: Structured data tasks like time-series forecasting, fraud detection, and feature selection.

Example use case: Financial institutions use XGBoost to detect fraudulent transactions by analyzing customer behavior patterns.

XGBoost is known for its performance with structured datasets and built-in regularization mechanisms that mitigate overfitting, ensuring that models generalize well to unseen data. Its support for distributed computing makes it ideal for processing massive datasets efficiently. Teams can leverage Anaconda’s pre-configured environments to deploy XGBoost without worrying about complex installations, ensuring that it integrates smoothly with their existing pipelines.

4. OpenCV


Best suited for: Computer vision tasks such as facial recognition, object detection, and augmented reality.

Example use case: E-commerce platforms use OpenCV to enable visual search features, allowing customers to find products by uploading images.OpenCV offers a comprehensive suite of tools that enables users to process images and videos efficiently, making it invaluable for industries ranging from security to entertainment. OpenCV supports multiple programming languages, including Python, C++, and Java. With Anaconda, teams can integrate OpenCV into their Python-based workflows effortlessly.

5. Keras



Best suited for: Beginners and professionals designing and training neural networks.

Example use case: Data scientists and developers use Keras to build sentiment analysis models that process customer feedback and identify areas for improvement.

Keras, TensorFlow’s high-level API, offers an intuitive way to define and train neural networks. Its support for a wide range of architectures and pre-trained models makes it highly accessible and extensible. Anaconda simplifies the installation and management of Keras, allowing teams to experiment with deep learning without delay.

6. TensorFlow



Best suited for: Comprehensive ML platforms, from research to production environments.

Example use case: TensorFlow is commonly applied to large-scale projects, such as speech recognition systems, autonomous driving, and healthcare diagnostics. For example, healthcare providers can use TensorFlow to build models that analyze medical images and assist in early disease detection.

TensorFlow is a versatile platform for building and deploying machine learning models at scale. Features like TensorBoard for visualization make it an excellent choice for monitoring training progress and debugging models. It competes directly with PyTorch, with both frameworks offering robust deep-learning capabilities. By leveraging Anaconda’s ecosystem, teams can integrate TensorFlow into their workflows seamlessly and reduce setup overhead.

7. Hugging Face Transformers



Best suited for: NLP tasks such as text generation, machine translation, and question answering.

Example use case: Businesses use Hugging Face Transformers to build AI-powered chatbots.

Hugging Face Transformers has become a go-to library for state-of-the-art NLP models. It includes pre-trained architectures like BERT, GPT, and T5, which help computers understand and generate text more naturally. Its user-friendly API and compatibility with deep learning frameworks like PyTorch and TensorFlow make it an easy choice for those looking to build and fine-tune advanced language models. Anaconda helps teams set up and manage these capabilities, ensuring they work efficiently without extra hassle.

Accelerate Machine Learning with the Anaconda AI Platform



Building successful machine learning solutions requires more than just selecting the right libraries—it demands a unified platform that simplifies complexity, ensures security, and accelerates time to value. The Anaconda AI Platform provides the only unified AI platform for open source that combines trusted distribution of essential ML libraries, simplified workflows, real-time insights, and governance controls to boost practitioner productivity while reducing organizational risk.

From classical machine learning with scikit-learn to deep learning with TensorFlow and PyTorch, our curated collection of enterprise-grade packages eliminates dependency conflicts and security vulnerabilities that can derail ML projects. With over 47 million users trusting our distribution and 20 billion downloads validating our packages, you can build with confidence knowing your foundation is secure and reliable.Experience how the Anaconda AI Platform can transform your machine learning workflows—from initial development to production deployment. Start for free with Anaconda Cloud Suite, or request a demo to see how our unified experience, expanded distribution, secure AI capabilities, and actionable insights can accelerate your team’s ML success.