Best AI tools for< Optimize 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.

Variational AI is a company that uses generative AI to discover novel drug-like small molecules with optimized properties for defined targets. Their platform, Enki™, is the first commercially accessible foundation model for small molecules. It is designed to make generating novel molecule structures easy, with no data required. Users simply define their target product profile (TPP) and Enki does the rest. Enki is an ensemble of generative algorithms trained on decades worth of experimental data with proven results. The company was founded in September 2019 and is based in Vancouver, BC, Canada.

Lavo Life Sciences is an AI-accelerated crystal structure prediction application that helps in drug development by providing accurate predictions for small molecule drugs. The application utilizes AI technology to optimize solid-state formulations, reduce turnaround time, mitigate risks, and discover novel polymorphs, ultimately streamlining the pharmaceutical research and development process.

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

Paige is a leading AI company revolutionizing pathology with next-generation technology. They provide diagnostic and biomarker AI, predictive analytics technology, and AI-assisted applications to support cancer detection, subtyping, and molecular biomarker discovery from tissue samples. Paige offers a range of AI suites for prostate, breast, colon, and PanCancer, as well as the innovative Paige Alba™ multi-modal co-pilot. Their advanced AI technology and services help streamline AI development, optimize existing applications, and drive groundbreaking advancements in cancer care.

Atomwise is an AI-powered drug discovery company that uses machine learning to identify new small molecule medicines. The company's platform combines the power of convolutional neural networks with massive chemical libraries to discover new drug candidates. Atomwise has a portfolio of wholly owned and co-developed pipeline assets, and is backed by prominent investors.

Qualtrics XM is a leading Experience Management Software that helps businesses optimize customer experiences, employee engagement, and market research. The platform leverages specialized AI to uncover insights from data, prioritize actions, and empower users to enhance customer and employee experience outcomes. Qualtrics XM offers solutions for Customer Experience, Employee Experience, Strategy & Research, and more, enabling organizations to drive growth and improve performance.

The Shopify App Store is a platform that offers a wide variety of applications to enhance and customize Shopify stores. With over 8,000 apps available, users can find tools for sales channels, product sourcing, marketing, store design, order management, and more. These apps are designed to help merchants optimize their online stores, improve customer experience, and boost sales.

Cloudflare is a platform that offers a range of products and services to help users build, secure, and optimize their websites and applications. It provides solutions for web analytics, troubleshooting errors, domain registration, content delivery, and more. Cloudflare also offers developer products like Workers and AI products like AI Vectorize and AI Gateway. Additionally, Cloudflare provides Zero Trust Access, Tunnel Gateway, and Browser Isolation services to enhance security and performance. The platform aims to simplify the process of managing online assets and improving user experience.

Jobscan is a comprehensive job search tool that helps job seekers optimize their resumes, cover letters, and LinkedIn profiles to increase their chances of getting interviews. It uses artificial intelligence and machine learning technology to analyze job descriptions and identify the skills and keywords that recruiters are looking for. Jobscan then provides personalized suggestions on how to tailor your application materials to each specific job you apply for. In addition to its resume and cover letter optimization tools, Jobscan also offers a job tracker, a LinkedIn optimization tool, and a career change tool. With its powerful suite of features, Jobscan is an essential tool for any job seeker who wants to land their dream job.

TestMarket is an AI-powered sales optimization platform for online marketplace sellers. It offers a range of services to help sellers increase their visibility, boost sales, and improve their overall performance on marketplaces such as Amazon, Etsy, and Walmart. TestMarket's services include product promotion, keyword analysis, Google Ads and SEO optimization, and advertising optimization.

VWO is a comprehensive experimentation platform that enables businesses to optimize their digital experiences and maximize conversions. With a suite of products designed for the entire optimization program, VWO empowers users to understand user behavior, validate optimization hypotheses, personalize experiences, and deliver tailored content and experiences to specific audience segments. VWO's platform is designed to be enterprise-ready and scalable, with top-notch features, strong security, easy accessibility, and excellent performance. Trusted by thousands of leading brands, VWO has helped businesses achieve impressive growth through experimentation loops that shape customer experience in a positive direction.

Botify AI is an AI-powered tool designed to assist users in optimizing their website's performance and search engine rankings. By leveraging advanced algorithms and machine learning capabilities, Botify AI provides valuable insights and recommendations to improve website visibility and drive organic traffic. Users can analyze various aspects of their website, such as content quality, site structure, and keyword optimization, to enhance overall SEO strategies. With Botify AI, users can make data-driven decisions to enhance their online presence and achieve better search engine results.

Siteimprove is an AI-powered platform that offers a comprehensive suite of digital governance, analytics, and SEO tools to help businesses optimize their online presence. It provides solutions for digital accessibility, quality assurance, content analytics, search engine marketing, and cross-channel advertising. With features like AI-powered insights, automated analysis, and machine learning capabilities, Siteimprove empowers users to enhance their website's reach, reputation, revenue, and returns. The platform transcends traditional boundaries by addressing a wide range of digital requirements and impact-drivers, making it a valuable tool for businesses looking to improve their online performance.

SiteSpect is an AI-driven platform that offers A/B testing, personalization, and optimization solutions for businesses. It provides capabilities such as analytics, visual editor, mobile support, and AI-driven product recommendations. SiteSpect helps businesses validate ideas, deliver personalized experiences, manage feature rollouts, and make data-driven decisions. With a focus on conversion and revenue success, SiteSpect caters to marketers, product managers, developers, network operations, retailers, and media & entertainment companies. The platform ensures faster site performance, better data accuracy, scalability, and expert support for secure and certified optimization.

EverSQL is an AI-powered tool designed for SQL query optimization, database observability, and cost reduction for PostgreSQL and MySQL databases. It automatically optimizes SQL queries using smart AI-based algorithms, provides ongoing performance insights, and helps reduce monthly database costs by offering optimization recommendations. With over 100,000 professionals trusting EverSQL, it aims to save time, improve database performance, and enhance cost-efficiency without accessing sensitive data.

Attention Insight is an AI-driven pre-launch analytics tool that provides crucial insights into consumer engagement with designs before the launch. By using predictive attention heatmaps and AI-generated attention analytics, users can optimize their concepts for better performance, validate designs, and improve user experience. The tool offers accurate data based on psychological research, helping users make informed decisions and save time and resources. Attention Insight is suitable for various types of analysis, including desktop, marketing material, mobile, posters, packaging, and shelves.

Competera is an AI-powered pricing platform designed for online and omnichannel retailers. It offers a unified workplace with an easy-to-use interface, real-time market data, and AI-powered product matching. Competera focuses on demand-based pricing, customer-centric pricing, and balancing price elasticity with competitive pricing. It provides granular pricing at the SKU level and offers a seamless adoption and onboarding process. The platform helps retailers optimize pricing strategies, increase margins, and save time on repricing.

Inventoro is a smart inventory forecasting and replenishment tool that helps businesses optimize their inventory management processes. By analyzing past sales data, the tool predicts future sales, recommends order quantities, reduces inventory size, identifies profitable inventory items, and ensures customer satisfaction by avoiding stockouts. Inventoro offers features such as sales forecasting, product segmentation, replenishment, system integration, and forecast automations. The tool is designed to help businesses decrease inventory, increase revenue, save time, and improve product availability. It is suitable for businesses of all sizes and industries looking to streamline their inventory management operations.

New AI Drug Discovery is a repository focused on the applications of Large Language Models (LLM) in drug discovery. It provides resources, tools, and examples for leveraging LLM technology in the pharmaceutical industry. The repository aims to showcase the potential of using AI-driven approaches to accelerate the drug discovery process, improve target identification, and optimize molecular design. By exploring the intersection of artificial intelligence and drug development, this repository offers insights into the latest advancements in computational biology and cheminformatics.

Towhee is a cutting-edge framework designed to streamline the processing of unstructured data through the use of Large Language Model (LLM) based pipeline orchestration. It can extract insights from diverse data types like text, images, audio, and video files using generative AI and deep learning models. Towhee offers rich operators, prebuilt ETL pipelines, and a high-performance backend for efficient data processing. With a Pythonic API, users can build custom data processing pipelines easily. Towhee is suitable for tasks like sentence embedding, image embedding, video deduplication, question answering with documents, and cross-modal retrieval based on CLIP.

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.

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.

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.

SurveyX is an advanced academic survey automation system that leverages Large Language Models (LLMs) to generate high-quality, domain-specific academic papers and surveys. Users can request comprehensive academic papers or surveys tailored to specific topics by providing a paper title and keywords for literature retrieval. The system streamlines academic research by automating paper creation, saving users time and effort in compiling research content.

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.

The 'awesome-mobile-robotics' repository is a curated list of important content related to Mobile Robotics and AI. It includes resources such as courses, books, datasets, software and libraries, podcasts, conferences, journals, companies and jobs, laboratories and research groups, and miscellaneous resources. The repository covers a wide range of topics in the field of Mobile Robotics and AI, providing valuable information for enthusiasts, researchers, and professionals in the domain.

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.

RoboMatrix is a skill-centric hierarchical framework for scalable robot task planning and execution in an open-world environment. It provides a structured approach to robot task execution using a combination of hardware components, environment configuration, installation procedures, and data collection methods. The framework is developed using the ROS2 framework on Ubuntu and supports robots from DJI's RoboMaster series. Users can follow the provided installation guidance to set up RoboMatrix and utilize it for various tasks such as data collection, task execution, and dataset construction. The framework also includes a supervised fine-tuning dataset and aims to optimize communication and release additional components in the future.

AirSLAM is an efficient visual SLAM system designed to tackle short-term and long-term illumination challenges. It combines deep learning techniques with traditional optimization methods, featuring a unified CNN for keypoint and structural line extraction. The system includes a relocalization pipeline for map reuse, accelerated using C++ and NVIDIA TensorRT. Outperforming other SLAM systems in challenging environments, it runs at 73Hz on PC and 40Hz on embedded platforms.

This repository contains a collection of papers and resources related to Large Language Models (LLMs), including their applications in various domains such as text generation, translation, question answering, and dialogue systems. The repository also includes discussions on the ethical and societal implications of LLMs. **Description** This repository is a collection of papers and resources related to Large Language Models (LLMs). LLMs are a type of artificial intelligence (AI) that can understand and generate human-like text. They have a wide range of applications, including text generation, translation, question answering, and dialogue systems. **For Jobs** - **Content Writer** - **Copywriter** - **Editor** - **Journalist** - **Marketer** **AI Keywords** - **Large Language Models** - **Natural Language Processing** - **Machine Learning** - **Artificial Intelligence** - **Deep Learning** **For Tasks** - **Generate text** - **Translate text** - **Answer questions** - **Engage in dialogue** - **Summarize text**

Script Examples and Resource Center for Helping with LAMMPS Input Generation and High-quality Tutorials (SERCHLIGHT)

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