Top 32+ Python Libraries for Machine Learning Projects in 2025
By upGrad
Updated on Jun 24, 2025 | 78 min read | 78.59K+ views
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By upGrad
Updated on Jun 24, 2025 | 78 min read | 78.59K+ views
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Did you know? TensorFlow and PyTorch continue to lead deep learning, with updates improving GPU/TPU performance, deployment, and model architecture support. PyTorch is preferred for research due to its dynamic graphs and debugging tools, while TensorFlow is known for its scalability and strong production capabilities. |
In 2025, Python remains a dominant language in machine learning due to its extensive collection of libraries that streamline the development and deployment of machine learning models. These libraries offer efficient, pre-built modules for tasks such as data preprocessing, model training, optimization, and evaluation. The top libraries in this space, including TensorFlow, PyTorch, and Scikit-learn, provide the essential tools for building robust machine learning systems.
This blog highlights key Python libraries for machine learning in 2025. It covers data manipulation (NumPy, Polars), model training (Scikit-learn, XGBoost), and deep learning (TensorFlow, PyTorch), with a focus on performance and scalability.
In 2025, the best Python libraries for machine learning will be essential for optimizing your workflow, from data manipulation to model training and evaluation. Libraries like TensorFlow, PyTorch, and Scikit-learn will remain at the forefront, offering powerful tools for deep learning and traditional machine learning tasks.
As the need for skilled professionals in machine learning and Python programming increases, now is the time to sharpen your skills. Explore these top courses to grow your knowledge and abilities.
Python libraries streamline development across all tasks, with their true value shining in machine learning. They simplify data manipulation, model training, and evaluation, enhancing efficiency and productivity.
In machine learning, Python’s extensive library ecosystem is a game changer. Here's how:
Also Read: Top 9 Machine Learning Libraries You Should Know About
Having understood the importance of Python libraries, let's look at the top libraries essential for efficient machine learning development in 2025.
NumPy is one of the top python libraries for machine learning for numerical computing. With its ability to handle large datasets and perform mathematical operations efficiently, it’s widely used in fields like data analysis, machine learning, scientific computing, and more.
Imagine working with real-time sensor data, hundreds of thousands of data points coming from multiple devices. With NumPy, you can store this data in multi-dimensional arrays and perform complex operations (like statistical analysis or data transformations) efficiently.
1. Speed & Efficiency
2. Seamless Integration
1. Limited Support for Labeled Data
2. Learning Curve for Array Operations
1. Machine Learning & Deep Learning
2. Finance
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Pandas is among versatile python libraries for machine learning for data manipulation and analysis, specifically designed for tabular data. It introduces the DataFrame object, which makes it easy to handle, clean, and transform data. Whether you're exploring datasets or preparing data for machine learning, Pandas is a key tool for efficient and intuitive analysis.
Data Cleaning & Transformation
Aggregating & Summarizing Data
1. Intuitive Syntax for Labeled Data
2. Efficient Handling of Time-Series Data
1. Performance Issues with Large Datasets
2. Memory-Intensive Operations
1. Financial Data Analysis
2. Data Science & Machine Learning
SciPy builds on the NumPy library and adds powerful scientific computing functionality. It provides advanced features for optimization, signal processing, statistical analysis, and more. SciPy is essential for tasks in engineering, scientific research, and machine learning.
Optimization in Machine Learning
Signal Processing
1. Broad Range of Functions
2. Seamless Integration with NumPy
1. Steeper Learning Curve for Advanced Features
2. Lacks Data Manipulation Features of Pandas
1. Healthcare Data Analysis
2. Engineering & Physics Simulations
Polars is one of the high-performance DataFrame python libraries for machine learning built for large-scale data manipulation. Written in Rust, it’s designed to be fast and memory-efficient, making it perfect for big data workloads where speed and scalability are key.
Handling Large-Scale Datasets
Parallel Computation
1. Speed and Efficiency
2. Memory-Efficient
1. Smaller Community & Fewer Resources
2. Limited Third-Party Integration
1. E-commerce Analytics
2. Big Data Applications
Example: In telecom or IoT, Polars can handle massive streams of data, such as real-time usage statistics or sensor data.
Also Read: R vs Python Data Science: The Difference
After covering the top libraries for building efficient models, let's now focus on Python libraries that enhance data visualization and interpretation.
Data visualization is a critical component of machine learning workflows. It helps in understanding data distributions, identifying patterns, and explaining model outputs effectively. Python offers several powerful libraries to meet these needs, ranging from creating simple plots to designing interactive dashboards.
Matplotlib is one of the oldest and most widely used python libraries for machine learning for creating static, animated, and interactive visualizations in Python. It's the foundational library for many other visualization tools, such as Seaborn and Bokeh, and is used for generating a variety of plot types, from simple line charts to complex 3D plots.
Creating 2D Plots and Graphs
Customizing Visualizations for Reports
1. Highly Customizable
2. Suitable for Publication-Ready Plots
1. Verbose Syntax
2. Limited Support for Interactive Plots
1. Academic Research
2. Business Intelligence
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Seaborn is a data visualization library built on top of Matplotlib that simplifies the creation of aesthetically pleasing and statistically informative plots. It is particularly effective for exploring relationships between variables and visualizing distributions.
Enhancing Aesthetics with Minimal Effort
Creating Complex Plots Easily
Advantages of Using Seaborn
1. Easy-to-Use Syntax
2. Built-In Themes for Attractive Visuals
1. Less Customizable than Matplotlib
2. Requires Matplotlib for Certain Functionalities
1. Data Analysis & Exploratory Data Analysis (EDA)
2. Statistical Visualizations
Example: In scientific studies, Seaborn can be used to create regression lines to examine relationships between variables, like the effect of temperature on sales.
Also Read: Data Analysis Using Python [Everything You Need to Know]
Bokeh is a Python library for creating interactive, web-ready visualizations. It is particularly well-suited for handling large datasets and building real-time dashboards for data analytics.
Building Interactive Charts and Dashboards
Handling Large Datasets
1. Interactive Visualizations for Web
2. Efficient Handling of Large Datasets
1. Steeper Learning Curve
2. Limited Customization for Static Plots
1. Real-Time Analytics Dashboards
2. IoT and Sensor Data Visualization
Plotly is a dynamic, interactive data visualization library designed to create publication-quality graphs and dashboards. It supports a wide variety of chart types and integrates seamlessly with Jupyter Notebooks, making it a top choice for data scientists and analysts looking to build engaging, interactive visualizations.
Interactive Dashboards for Business Intelligence
Supporting Exploratory Data Analysis (EDA)
1. Highly Interactive and Visually Appealing
2. Easy Integration with Jupyter Notebooks
1. Limitations of the Free Version
2. Requires Familiarity with Web-Based Visualization Concepts
1. Business Intelligence (BI) Dashboards
2. Exploratory Data Analysis (EDA)
Having understood the role of visualization in machine learning, the next step is to look at Python libraries for building and optimizing your machine learning models effectively.
Machine learning frameworks simplify the complex process of building, training, and deploying models. Python offers a diverse set of libraries that cater to different ML tasks, from basic algorithms to advanced gradient-boosting techniques. Here's an overview of the top ML frameworks that drive innovation across industries.
Scikit-learn is one of the most widely used Python libraries for machine learning. It offers a broad range of tools for data preprocessing, model building, and evaluation, making it suitable for both beginners and experts.
1. Preprocessing Tasks
2. Training Machine Learning Models
1. Easy-to-Use Interface
2. Seamless Integration with Pandas and NumPy
1. Limited Support for Deep Learning
2. May Not Perform Well with Very Large Datasets
1. Predictive Analytics
2. Fraud Detection
Example: In banking, Scikit-learn models can be trained on transaction data to flag potential fraudulent activities, improving security and trust.
XGBoost is a powerful and efficient implementation of gradient boosting algorithms. It is renowned for its speed and accuracy, making it a popular choice for data science competitions, such as Kaggle, where predictive performance is paramount.
Handling Tabular Data
Feature Importance Ranking
1. Highly Efficient for Both Small and Large Datasets
2. Built-in Regularization to Prevent Overfitting
1. Requires Hyperparameter Tuning
2. Less Beginner-Friendly Due to Complexity
1. Credit Risk Modeling in Finance
2. Predictive Maintenance in Manufacturing
LightGBM is a high-performance gradient-boosting framework designed for speed and efficiency. It is optimized for large datasets and offers a lower memory footprint, making it ideal for tasks that require rapid computation.
Training Models for Large-Scale Classification and Regression
Real-Time Machine Learning Tasks
Advantages of LightGBM
1. Faster Training Times Compared to XGBoost
2. Native Support for Categorical Features
1. May Not Perform Well with Small Datasets
2. Sensitive to Hyperparameters
1. Product Recommendation Systems in E-Commerce
2. Fraud Detection in Finance
CatBoost is a gradient-boosting library designed specifically for handling categorical features efficiently, without requiring extensive preprocessing. It delivers state-of-the-art performance with minimal effort.
Handling Imbalanced Datasets
Building Interpretable Models for Decision-Making
1. Automatically Handles Categorical Features
2. Performs Well with Imbalanced Datasets
1. Slower Training Compared to LightGBM
2. Smaller Community Support Compared to XGBoost
1. Marketing Analytics for Customer Segmentation
2. Personalized Campaign Targeting
Machine learning libraries offer essential tools for model development, while deep learning libraries drive AI forward with advanced techniques for complex tasks.
Deep learning is at the forefront of advancements in artificial intelligence (AI), enabling tasks like image recognition, natural language processing, and autonomous systems. Python offers several powerful libraries tailored for deep learning, each suited for specific use cases. Here's a closer look at the top libraries in this domain.
Theano is one of the earliest libraries designed for numerical computation and deep learning in Python. It allows efficient mathematical operations on multi-dimensional arrays and supports GPU acceleration, making it a pioneering tool in the field of deep learning.
1. Deep Learning Model Development
2. GPU Acceleration for Faster Computations
1. GPU Optimization
2. Robust for Custom Neural Networks
1. No Longer Actively Maintained
2. Outperformed by Newer Frameworks
1. Academic Research in Deep Learning
TensorFlow, developed by Google, is one of the most widely used frameworks for building, training, and deploying machine learning models, particularly deep learning models. It supports both symbolic and imperative programming, making it versatile for both research and production.
1. Training Deep Learning Models
2. Serving Production Environments with TensorFlow Extended (TFX)
1. Extensive Documentation & Community
2. GPU/TPU Acceleration & Distributed Computing
1. Steep Learning Curve for Beginners
2. High Resource Usage
1. Machine Translation & NLP
2. Image Recognition & Computer Vision
Keras is a high-level API built on top of TensorFlow, designed for rapid prototyping and simplifying the process of building deep learning models. It provides an intuitive interface for building and training neural networks.
1. Rapid Prototyping of Neural Networks
2. Transfer Learning with Pre-Trained Models
1. Beginner-Friendly & Readable Code
2. Extensive Community Support
1. Limited Flexibility Compared to Lower-Level Frameworks
2. Dependency on Backend Frameworks
1. Healthcare
2. Education & Research
PyTorch, developed by Facebook AI, is one of the most popular deep learning frameworks, known for its dynamic computation graphs and flexibility, making it particularly ideal for research and experimentation.
1. Training Neural Networks
2. Research in AI
1. Intuitive and Pythonic Syntax
2. Dynamic Computation Graphs
1. Slightly Slower in Production
2. Smaller Ecosystem
1. Autonomous Vehicles
2. AI Research & Experimentation
FastAI is a high-level deep learning library built on PyTorch. It is designed to make deep learning accessible and efficient, with minimal code required to achieve state-of-the-art results. By abstracting much of the complexity, FastAI allows users to quickly create, train, and deploy deep learning models.
Creating Deep Learning Models with Pre-Built Architectures
Transfer Learning for Object Detection
1. Extremely Beginner-Friendly
2. Pre-Trained Models & One-Liner Implementations
1. Limited Customization Compared to PyTorch
2. Smaller Community Than TensorFlow or PyTorch
1. Educational Platforms for Deep Learning
2. Prototyping Deep Learning Models
Sonnet is a deep learning library developed by DeepMind, built on TensorFlow. It’s designed to enable the creation of modular and reusable neural network architectures that are both flexible and scalable. Sonnet is primarily aimed at researchers and AI practitioners working on cutting-edge AI and reinforcement learning tasks.
Building Modular & Reusable Neural Networks
Research in AI and Reinforcement Learning
1. Modular and Reusable Components
2. Built for Research
1. Limited Adoption Outside DeepMind
2. Steeper Learning Curve Compared to Other Libraries
1. Reinforcement Learning in AI Research
2. Developing Novel Neural Architectures
Dist-Keras is a distributed deep learning library built on top of Keras and Apache Spark. It enables the scaling of deep learning models across multiple nodes in a cluster, making it ideal for training models on massive datasets.
Distributed Training for Large Datasets
Scaling Deep Learning Models in Enterprise Settings
1. Simplicity of Keras with the Scalability of Spark
2. Ideal for Big Data Applications
1. Limited Documentation and Examples
2. Steep Learning Curve for Distributed Computing
1. Retail for Customer Behavior Modeling
2. Enterprise AI Applications
Caffe is a deep learning framework developed for image processing and computer vision tasks. Known for its speed and modularity, Caffe is widely used in industries where real-time image recognition and object detection are critical.
Image Classification and Segmentation
Object Detection in Real-Time Applications
1. Highly Optimized for Vision Tasks
2. Modular Design
1. Lacks Flexibility for Non-Vision Tasks
2. Smaller Community Compared to TensorFlow or PyTorch
1. Autonomous Vehicles
2. Real-Time Surveillance Systems
Also Read: Top 15 Deep Learning Frameworks You Need to Know in 2025
Next, let's explore Python libraries for specific tasks like graph analysis, optimization, and real-time data processing, further enhancing machine learning capabilities.
Machine learning often requires addressing specific challenges that go beyond standard model training and evaluation. Specialized libraries in Python cater to such unique requirements, like graph visualization, statistical modeling, and data pipelines. Here's an overview of Python libraries designed for specialized tasks.
PyDot is a powerful Python library for creating and visualizing graphs and network structures. Built on top of Graphviz, it offers tools to render both directed and undirected graphs with highly customizable layouts. Whether you’re working on visualizing decision trees in machine learning models or drawing network diagrams, PyDot makes graph representation easy and intuitive.
Visualizing Decision Trees in Machine Learning
Creating Flowcharts & Network Diagrams
1. Easy Integration with Python Workflows
2. Highly Customizable Graph Aesthetics
Disadvantages of PyDot
1. Limited Support for Large Graphs
2. Dependency on Graphviz for Rendering
1. Telecommunications
2. Machine Learning Model Visualization
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Fuel is a Python library designed to streamline the process of feeding large datasets into deep learning models. It provides tools for data preprocessing, augmentation, and batching, with a focus on handling structured data formats like HDF5 efficiently.
Feeding Large Datasets into Neural Networks
Managing Data Preprocessing & Augmentation
1. Optimized for Large-Scale Data
2. Flexible Preprocessing & Batching
1. Smaller Community & Documentation
2. Requires Familiarity with HDF5
1. Genomics
2. Medical Imaging
StatsModels is a Python library focused on statistical modeling, hypothesis testing, and data exploration. It offers a broad range of statistical tests, models, and data diagnostics, making it indispensable for researchers, data scientists, and statisticians.
Conducting Hypothesis Testing
Performing Exploratory Data Analysis (EDA)
1. Extensive Support for Advanced Statistical Methods
2. Detailed Model Summaries & Visualizations
1. Not Designed for Large-Scale Machine Learning
2. Slower Computation for Large Datasets
1. Social Science Research
2. Financial Analysis
Beyond specialized tasks, Python libraries are increasingly bridging the gap to interactive and web-based applications, enabling seamless deployment and user engagement for machine learning models.
Interactive applications and dashboards make machine learning insights accessible to a broader audience, enabling real-time decision-making and better engagement. Python libraries like Streamlit and Dash simplify the process of turning ML models into web-based tools.
Streamlit is a powerful Python library that enables developers to create interactive web applications with minimal effort. It’s designed for data scientists and machine learning engineers who want to turn their models and data into live, interactive web tools without needing extensive web development skills.
Interactive Dashboards for Real-Time Exploration
Deploying Machine Learning Models with Dynamic Inputs
1. Extremely Easy to Use
2. Seamless Integration with ML Libraries
1. Limited Customization Options
2. Not Ideal for Complex Multi-Page Applications
1. Healthcare
2. Finance
Dash, developed by Plotly, is a Python framework designed for building analytical web applications. With Dash, you can create interactive dashboards that include complex visualizations and data-driven insights, making it perfect for those who want a more customizable solution compared to Streamlit.
Building Dashboards for Monitoring ML Models
Creating Web Applications for Exploratory Data Analysis
1. Highly Customizable with HTML, CSS, and JavaScript
2. Scalable for Enterprise-Level Applications
1. Requires Web Development Knowledge
2. More Complex Setup than Streamlit
1. Finance
2. Healthcare
Also Read: Top 10 Python Framework for Web Development
After exploring Python libraries for interactive applications, let's discuss those designed for Natural Language Processing (NLP) to efficiently process and analyze text data.
Natural Language Processing (NLP) has become a cornerstone of AI applications, powering systems like chatbots, sentiment analysis tools, and machine translation. Python offers a variety of libraries tailored to different NLP tasks, ranging from beginner-friendly tools to advanced frameworks for large-scale processing.
Apache MXNet is a deep learning framework designed to provide high efficiency and scalability, making it ideal for large-scale applications. While it's not exclusively focused on NLP, MXNet offers the flexibility and tools required to build and train NLP models efficiently, especially when scalability is a key concern.
Deploying NLP Models in Distributed Systems
Building Embeddings for Sentiment Analysis
1. Highly Scalable with Distributed Computing
2. Multi-Language Support
1. Smaller Community Compared to TensorFlow & PyTorch
2. Requires Advanced Knowledge for Effective Usage
1. Large-Scale Translation Systems
2. Sentiment Analysis in Customer Feedback
Pattern is a lightweight Python library for web mining, natural language processing (NLP), and machine learning. It combines functionalities for text mining, sentiment analysis, and basic machine learning tasks, making it an ideal tool for small to medium-scale NLP projects.
Text Mining from Websites for Sentiment Analysis
Tokenizing and Parsing Text Data
1. Combines NLP and Web Scraping
2. Beginner-Friendly with Simple Syntax
1. Not Optimized for Large-Scale Datasets
2. Limited Updates Compared to Newer NLP Libraries
1. Customer Review Analysis
2. Social Media Monitoring
Gensim is a Python library designed for unsupervised topic modeling and document similarity analysis. It focuses on efficiently processing large text corpora and creating semantic vector representations of words and documents.
Creating Topic Models to Categorize Documents
Building Word Embeddings for Semantic Similarity
1. Optimized for Large Text Corpora
2. Scalable with Streaming Data
1. Limited Support for Supervised Learning Tasks
2. Requires Preprocessing of Text Data
1. News Recommendation Systems
2. Customer Feedback Analysis
The Natural Language Toolkit (NLTK) is a popular, beginner-friendly library for Natural Language Processing (NLP) in Python. It’s widely used in academic and educational settings for learning and experimenting with basic NLP tasks like tokenization, stemming, and parsing.
Text Tokenization & Tagging
Syntactic Parsing
1. Comprehensive Documentation & Tutorials
2. Ideal for Learning and Experimenting
1. Not Optimized for Deep Learning Tasks
2. Slower Compared to Advanced Libraries
1. Educational NLP Courses
2. Prototyping and Research
PyBrain is an open-source Python library designed for building neural networks and performing reinforcement learning tasks. It provides a modular framework that allows researchers to experiment with various AI models and algorithms, making it popular for research and academic purposes.
Neural Network Training
Reinforcement Learning
1. Reinforcement Learning Focus
2. Modular Design for Flexibility
1. Limited Updates and Smaller Community
2. Not Specifically Optimized for NLP
1. Text-Based Reinforcement Learning
2. AI Research & Prototyping
Also Read: Top 25 NLP Libraries for Python for Effective Text Analysis
While NLP libraries focus on processing language data, model interpretation and optimization are key to enhancing the transparency and efficiency of your machine learning models.
Model interpretation and optimization are critical aspects of machine learning. While interpretation ensures transparency and trust in predictions, optimization helps improve model performance. Python offers specialized libraries like Eli5 and Optuna to address these needs efficiently.
Eli5 (Explain Like I’m 5) is a Python library that helps in making complex machine learning models easier to understand by providing intuitive, human-readable explanations. It works by simplifying how machine learning models make predictions and showing which features contribute most to those predictions.
Visualizing Feature Importance
Debugging Models
1. Simple and Intuitive Explanations
2. Supports Global and Local Interpretability
1. Limited Support for Deep Learning Models
2. Complex Explanations for Highly Non-Linear Models
1. Healthcare
2. Finance
Optuna is a powerful and efficient hyperparameter optimization framework designed to simplify the process of finding optimal configurations for machine learning models. It uses a trial-based approach, experimenting with different combinations of hyperparameters to improve model performance.
Automating Hyperparameter Tuning
Visualizing Optimization Results
1. Simple API for Seamless Integration
2. Built-in Visualization Tools
1. Requires Domain Knowledge for Effective Search Spaces
2. Computational Expense for Large Models
1. Financial Forecasting
2. Machine Learning and AI
While model interpretation and optimization improve machine learning models, effective data collection and preprocessing through web scraping and data mining are equally important for success.
Web scraping and data mining are essential for extracting valuable information from the internet, which can then be used for machine learning tasks. Python provides powerful libraries like BeautifulSoup and Scrapy that simplify the process of gathering and structuring web data for analysis.
BeautifulSoup is a Python library for web scraping that makes it easy to parse HTML and XML documents. It allows you to navigate, search, and modify web pages, making it ideal for smaller-scale web scraping tasks.
Extracting Text and Attributes
Preprocessing Web Data for ML
1. Simple and Intuitive Syntax
2. Gracefully Handles Poorly Formatted HTML
1. Lacks Asynchronous Features
2. Slower for Large Datasets
1. Market Research
2. Content Aggregation
Scrapy is a powerful and scalable framework for web scraping and data extraction. It’s built to handle large-scale scraping tasks efficiently, with features for managing crawlers, handling asynchronous requests, and exporting data in formats like JSON and CSV.
Extracting Large-Scale Data
Automating Web Crawlers
1. Scalability for Large Projects
2. Handles Asynchronous Requests
1. Steeper Learning Curve
2. Requires Setup for JavaScript-Heavy Websites
1. Real Estate Analytics
2. E-Commerce Price Monitoring
Also Read: Top 26 Web Scraping Projects for Beginners and Professionals
After exploring Python libraries for web scraping and data mining, it's essential to know how to choose the right libraries to optimize your machine learning models and workflows.
Selecting the right Python libraries for your machine learning projects can significantly impact your productivity and model performance. Here’s a structured guide to help you choose the most suitable libraries based on your specific needs and project requirements.
Identify the exact task you need to accomplish in your project and select a library tailored to that function.
Consider the speed and efficiency of the library, especially when working with large datasets or computationally intensive tasks.
Some libraries are beginner-friendly, while others offer advanced capabilities but require more expertise.
Ensure the library can scale with the size and complexity of your project.
Check how well the library integrates with other tools and systems in your workflow.
Opt for libraries with an active and engaged community to ensure better support, tutorials, and regular updates.
Here’s a summary table for quick reference:
Criteria |
Recommended Libraries |
Data Preprocessing | Pandas, NumPy, Polars |
Visualization | Matplotlib, Seaborn, Plotly |
Traditional ML | Scikit-learn, XGBoost, LightGBM |
Deep Learning | TensorFlow, PyTorch, Keras, FastAI |
Web Apps | Streamlit, Dash |
Scalability | Apache MXNet, TensorFlow, LightGBM |
Choosing the right Python libraries requires aligning their features and capabilities with your project’s goals. By considering task specificity, performance, ease of use, scalability, integration, and community support, you can streamline your machine learning workflow and achieve better results.
Also Read: Top 50 Python Project Ideas with Source Code in 2025
Now that you're familiar with machine learning libraries for various functions, let's explore course options to help build your career in AI and ML.
Optimizing machine learning workflows requires utilizing the right Python libraries. NumPy, Pandas, and SciPy streamline data manipulation, while TensorFlow and PyTorch power deep learning models. Learning these libraries ensures efficient data handling and robust model performance, from preprocessing to deployment.
upGrad’s expert-led courses provide hands-on learning, guiding you through real-world applications and complex model optimization. With practical projects and mentorship, you’ll gain the skills needed to tackle challenges and advance your career in AI and machine learning.
In addition to above mentioned specialized courses, here are some free foundational courses to get you started.
Not sure where to start to advance your Python skills? Contact upGrad for personalized counseling and valuable insights into advanced technologies. For more details, you can also visit your nearest upGrad offline center.
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