Best AI tools for< Design Molecular Structures >

HUAWEI Cloud Pangu is an AI tool designed for accelerating drug discovery by optimizing drug molecules. It offers features such as Molecule Search, Molecule Optimizer, and Pocket Molecule Design. Users can submit molecules for optimization and view historical optimization results. The tool is based on the MindSpore framework and has been visited over 300,000 times since August 23, 2021.

BugFree.ai is an AI-powered platform designed to help users practice system design and behavior interviews, similar to Leetcode. The platform offers a range of features to assist users in preparing for technical interviews, including mock interviews, real-time feedback, and personalized study plans. With BugFree.ai, users can improve their problem-solving skills and gain confidence in tackling complex interview questions.

Genesis Therapeutics is a cutting-edge platform that leverages molecular AI technology to discover and develop innovative medicines with exceptional potency and selectivity. The platform, known as GEMS (Generative AI for Drug Discovery), combines AI and physics research to identify drug candidates against challenging targets at an accelerated pace. The company's approach involves designing highly potent and selective drugs for chemically complex targets, driven by a team of collaborative minds across AI and biotech disciplines. Genesis Therapeutics is dedicated to advancing breakthrough medicines and bringing new hope to patients through its unique blend of technology and expertise.

Iambic Therapeutics is a cutting-edge AI-driven drug discovery platform that tackles the most challenging design problems in drug discovery, addressing unmet patient need. Its physics-based AI algorithms drive a high-throughput experimental platform, converting new molecular designs to new biological insights each week. Iambic's platform optimizes target product profiles, exploring multiple profiles in parallel to ensure that molecules are designed to solve the right problems in disease biology. It also optimizes drug candidates, deeply exploring chemical space to reveal novel mechanisms of action and deliver diverse high-quality leads.

Allchemy is a resource-aware AI platform for drug discovery. It combines state-of-the-art computational synthesis with AI algorithms to predict molecular properties. Within minutes, Allchemy creates thousands of synthesizable lead candidates meeting user-defined profiles of drug-likeness, affinity towards specific proteins, toxicity, and a range of other physical-chemical measures. Allchemy encompasses the entire resource-to-drug design process and has been used in academic, corporate and classified environments worldwide to: Design synthesizable leads targeting specific proteins Evolve scaffolds similar to desired drugs Design “circular” drug syntheses from renewable materials Interface with and instruct automated synthesis platforms and optimize pilot-scale processes Operate “iterative synthesis” schemes Predict side reactions and create forensic “synthetic signatures” of hazardous/toxic molecules Design synthetic degradation and recovery cycles for various types of feedstocks and functional target molecules

X-Design is an AI-powered photo editing studio tailored for marketing and e-commerce businesses. It offers a suite of AI tools for background removal, image generation, and retouching to create professional-quality photos effortlessly. Users can enhance product visuals, create fashion model images, change colors, and upscale images with AI technology. The platform provides a smooth editing experience with extensive templates and seamless workflows, empowering users to design like a pro and optimize their online sales processes.

Design Bundles is a comprehensive online platform offering a wide range of design resources including SVG files, clipart, laser designs, sublimation PNGs, illustrations, photos, and more. Users can access unlimited downloads, exclusive software, and marketplace purchases with various discounts. The platform also features an exclusive AI tool called Illustrate AI, which allows users to generate unique images effortlessly. Design Bundles aims to provide a seamless experience for designers, crafters, and creators to explore their creativity and access high-quality design assets.

Design Wizard is a free online graphic design software that allows users to create impressive videos and image designs in minutes. It offers a wide range of pre-made templates, premium images, videos, and fonts to help users create unique and professional-looking content. Design Wizard is easy to use and requires no prior design experience. It is perfect for individuals, small businesses, and organizations that need to create high-quality visual content quickly and easily.

The website offers an AI Spatial Design tool that revolutionizes spatial design by providing advanced intelligence for creating and interacting with spaces. It features high-fidelity 3D modeling, real-time interaction, and transforming photos into visual experiences. Users can customize their buyer journey, boost walk-ins, and elevate living spaces with spatial intelligence. The tool also offers services for cabinet design, flooring, wall fill, countertop fill, furniture replacement, interior design, home redesign, partial remodel, and virtual staging.

The Institute for Protein Design is a research institute at the University of Washington that uses computational design to create new proteins that solve modern challenges in medicine, technology, and sustainability. The institute's research focuses on developing new protein therapeutics, vaccines, drug delivery systems, biological devices, self-assembling nanomaterials, and bioactive peptides. The institute also has a strong commitment to responsible AI development and has developed a set of principles to guide its use of AI in research.

The AI Landscape Design Idea Generator is a web-based tool that helps users create beautiful and functional landscape designs. The tool uses artificial intelligence to generate design ideas based on the user's input. Users can choose from a variety of design styles, plant types, and other features to create a design that is perfect for their needs.

Design My Room is an AI-powered application that allows users to easily redesign their room by simply taking a photo with their iPhone. The app provides 5 different design ideas tailored to the user's room, offering a wide range of unique design inspirations to spark creativity in home makeover projects. With its user-friendly interface and quick results, Design My Room simplifies the process of room redesigning, making it accessible to anyone looking to transform their living space.

Design Your Pins is a custom pin design website that offers personalized pin creation services. The platform provides a user-friendly experience for designing custom pins, with a focus on quality craftsmanship and customer satisfaction. Design Your Pins features an AI Pin Designer tool to assist users in bringing their unique pin designs to life. The team behind Design Your Pins consists of industry experts dedicated to providing transparent and accountable service throughout the custom pin project process. From initial design submission to final delivery, Design Your Pins aims to turn ideas into beautifully crafted pins that reflect the customer's vision.

AI-Design.pro is an AI-powered service that creates interior design projects. It utilizes artificial intelligence to generate interior design albums with accurate architectural and design drawings, visualizations, and detailed specifications for furniture and materials. The platform streamlines the interior design process, making it more efficient and significantly reducing the time it takes to locate an interior designer. Users can create customized design projects tailored to their specific requirements without the need for a designer, meetings, or phone calls. The service offers a simple and intuitive interface, hundreds of design options, and automated procurement estimates for purchasing furniture and materials.

Design Sparks is an AI-powered tool that aims to enhance the design process by generating infinite ideas and fostering limitless creativity. Users can input their design problems or themes, upload PDFs or enter URLs, and let the AI generate sparks of inspiration. The platform allows users to explore new perspectives and possibilities for their design projects, making the creative process more efficient and innovative.

Design Sparks is an AI-powered creativity tool that helps users generate new ideas and solve design problems. The tool uses a variety of AI techniques, including machine learning and natural language processing, to understand user input and generate relevant ideas. Design Sparks is designed to be used by a wide range of users, from designers and engineers to marketers and business professionals. The tool is easy to use and can be accessed through a web-based interface.

Design My Bingo is an online platform that allows users to create custom bingo cards for any occasion. With its user-friendly interface and powerful AI features, Design My Bingo makes it easy to create unique and engaging bingo cards that are tailored to your specific needs. Whether you're hosting a party, teaching a class, or simply want to have some fun, Design My Bingo has you covered.

Tattoo Design Pro is an AI-powered application that allows users to transform their imagination into stunning tattoo designs in various styles. Whether starting with a simple prompt or uploading an existing sketch, the app uses AI magic to create unique and detailed designs. Customers can experiment with different designs, receive AI-generated suggestions, and easily choose the perfect tattoo design. The app provides a user-friendly interface and a wide range of features to help tattoo enthusiasts and artists in the design process.

Tattoo AI Design is a free and powerful AI tattoo generator and design tool that allows users to unleash their personal tattoo ideas and create unique tattoo designs with the help of artificial intelligence technology. Users can input their tattoo descriptions and let the AI generate tattoo ideas within seconds, enabling them to explore various tattoo styles and motifs. The platform supports traditional tattoos, neo-traditional tattoos, watercolor tattoos, geometric tattoos, and more, offering a wide range of design possibilities for tattoo enthusiasts.

Spline is a 3D design tool that allows users to create, edit, and collaborate on 3D designs in real-time. It is a web-based application that is accessible from any device with an internet connection. Spline is designed to be easy to use, even for beginners, and it offers a wide range of features that make it suitable for a variety of projects, from simple 3D models to complex animations and interactive experiences.

Scientific Large Language Models (Sci-LLMs) is a repository that collects papers on scientific large language models, focusing on biology and chemistry domains. It includes textual, molecular, protein, and genomic languages, as well as multimodal language. The repository covers various large language models for tasks such as molecule property prediction, interaction prediction, protein sequence representation, protein sequence generation/design, DNA-protein interaction prediction, and RNA prediction. It also provides datasets and benchmarks for evaluating these models. The repository aims to facilitate research and development in the field of scientific language modeling.

The 'machine-learning-research' repository is a comprehensive collection of resources related to mathematics, machine learning, deep learning, artificial intelligence, data science, and various scientific fields. It includes materials such as courses, tutorials, books, podcasts, communities, online courses, papers, and dissertations. The repository covers topics ranging from fundamental math skills to advanced machine learning concepts, with a focus on applications in healthcare, genetics, computational biology, precision health, and AI in science. It serves as a valuable resource for individuals interested in learning and researching in the fields of machine learning and related disciplines.

The 'awesome-AI4MolConformation-MD' repository focuses on protein conformations and molecular dynamics using generative artificial intelligence and deep learning. It provides resources, reviews, datasets, packages, and tools related to AI-driven molecular dynamics simulations. The repository covers a wide range of topics such as neural networks potentials, force fields, AI engines/frameworks, trajectory analysis, visualization tools, and various AI-based models for protein conformational sampling. It serves as a comprehensive guide for researchers and practitioners interested in leveraging AI for studying molecular structures and dynamics.

AI-Drug-Discovery-Design is a repository focused on Artificial Intelligence-assisted Drug Discovery and Design. It explores the use of AI technology to accelerate and optimize the drug development process. The advantages of AI in drug design include speeding up research cycles, improving accuracy through data-driven models, reducing costs by minimizing experimental redundancies, and enabling personalized drug design for specific patients or disease characteristics.

A public repository collecting links to state-of-the-art training sets, QA, benchmarks and other evaluations for various ML and LLM applications in materials science and chemistry. It includes datasets related to chemistry, materials, multimodal data, and knowledge graphs in the field. The repository aims to provide resources for training and evaluating machine learning models in the materials science and chemistry domains.

GOLEM is an open-source AI framework focused on optimization and learning of structured graph-based models using meta-heuristic methods. It emphasizes the potential of meta-heuristics in complex problem spaces where gradient-based methods are not suitable, and the importance of structured models in various problem domains. The framework offers features like structured model optimization, metaheuristic methods, multi-objective optimization, constrained optimization, extensibility, interpretability, and reproducibility. It can be applied to optimization problems represented as directed graphs with defined fitness functions. GOLEM has applications in areas like AutoML, Bayesian network structure search, differential equation discovery, geometric design, and neural architecture search. The project structure includes packages for core functionalities, adapters, graph representation, optimizers, genetic algorithms, utilities, serialization, visualization, examples, and testing. Contributions are welcome, and the project is supported by ITMO University's Research Center Strong Artificial Intelligence in Industry.

FuseMedML is a Python framework designed to accelerate machine learning-based discovery in the medical field by promoting code reuse. It provides a flexible design concept where data is stored in a nested dictionary, allowing easy handling of multi-modality information. The framework includes components for creating custom models, loss functions, metrics, and data processing operators. Additionally, FuseMedML offers 'batteries included' key components such as fuse.data for data processing, fuse.eval for model evaluation, and fuse.dl for reusable deep learning components. It supports PyTorch and PyTorch Lightning libraries and encourages the creation of domain extensions for specific medical domains.

AITom is an open-source platform for AI-driven cellular electron cryo-tomography analysis. It is developed to process large amounts of Cryo-ET data, reconstruct, detect, classify, recover, and spatially model different cellular components using state-of-the-art machine learning approaches. The platform aims to automate cellular structure discovery and provide new insights into molecular biology and medical applications.

Awesome-Segment-Anything is a powerful tool for segmenting and extracting information from various types of data. It provides a user-friendly interface to easily define segmentation rules and apply them to text, images, and other data formats. The tool supports both supervised and unsupervised segmentation methods, allowing users to customize the segmentation process based on their specific needs. With its versatile functionality and intuitive design, Awesome-Segment-Anything is ideal for data analysts, researchers, content creators, and anyone looking to efficiently extract valuable insights from complex datasets.

REINVENT is a molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design, molecule optimization, and other small molecule design tasks. It uses a Reinforcement Learning (RL) algorithm to generate optimized molecules compliant with a user-defined property profile defined as a multi-component score. Transfer Learning (TL) can be used to create or pre-train a model that generates molecules closer to a set of input molecules.

Awesome Generative AI is a curated list of modern Generative Artificial Intelligence projects and services. Generative AI technology creates original content like images, sounds, and texts using machine learning algorithms trained on large data sets. It can produce unique and realistic outputs such as photorealistic images, digital art, music, and writing. The repo covers a wide range of applications in art, entertainment, marketing, academia, and computer science.

NoLabs is an open-source biolab that provides easy access to state-of-the-art models for bio research. It supports various tasks, including drug discovery, protein analysis, and small molecule design. NoLabs aims to accelerate bio research by making inference models accessible to everyone.

This repository is dedicated to collecting and categorizing papers related to Retrieval-Augmented Generation (RAG) for AI-generated content. It serves as a survey repository based on the paper 'Retrieval-Augmented Generation for AI-Generated Content: A Survey'. The repository is continuously updated to keep up with the rapid growth in the field of RAG.

A collection of papers and resources about Large Language Models (LLM) for Graph Learning (Graph). Integrating LLMs with graph learning techniques to enhance performance in graph learning tasks. Categorizes approaches based on four primary paradigms and nine secondary-level categories. Valuable for research or practice in self-supervised learning for recommendation systems.

This repository contains a comprehensive collection of 63 must-know Large Language Models (LLMs) interview questions. It covers topics such as the architecture of LLMs, transformer models, attention mechanisms, training processes, encoder-decoder frameworks, differences between LLMs and traditional statistical language models, handling context and long-term dependencies, transformers for parallelization, applications of LLMs, sentiment analysis, language translation, conversation AI, chatbots, and more. The readme provides detailed explanations, code examples, and insights into utilizing LLMs for various tasks.

A collection of papers related to knowledge distillation of large language models (LLMs). The repository focuses on techniques to transfer advanced capabilities from proprietary LLMs to smaller models, compress open-source LLMs, and refine their performance. It covers various aspects of knowledge distillation, including algorithms, skill distillation, verticalization distillation in fields like law, medical & healthcare, finance, science, and miscellaneous domains. The repository provides a comprehensive overview of the research in the area of knowledge distillation of LLMs.

Research assistant for Atomic, Molecular, and Optics Physics

Assists in evaluating protein engineering tools.

A GPT that can provides lectures on Statistical Mechanics

A creative guide for exploring various design disciplines.

Expert in designing engaging and effective Design Thinking workshops.

A helpful coach for guiding teams through Design Sprints with a touch of sass.

A strategic approach of thinking when designing software.

Expert in full UI/UX design with latest CSS rules.

Expert iOS app UI/UX designer focusing on modern, simple designs

Your UX mentor focusing on mobile usability and optimizing for conversion.

Expert in designing sustainable token economies.

Job interview coach for product designers. Train interviews and say stop when you need a feedback. You got this!!

Converts XD & Figma designs to Tailwind

Expert in game design... - RPGGO

Assists in creating detailed briefs with examples on request.

UX/UI designer for design systems specs

I craft captions and hashtags for design images.

I can help you with healthcare UX design

Expert in loudspeaker design and acoustic theory.

A bio-inspired design and research assisant guiding innovative solutions using the Biomimicry Institute design process.