Best AI tools for< Optimize Drug Design >

Kuano is an AI tool that focuses on redefining drug discovery using Quantum and AI technologies. The platform offers world-class scientific expertise in quantum physics, AI, and medicinal chemistry to revolutionize the drug design process. Kuano aims to leverage cutting-edge technologies to accelerate the discovery of new drugs and improve healthcare outcomes.

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.

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.

Recursion is a techbio company that uses artificial intelligence to accelerate drug discovery. The company's platform combines hardware, software, and data to create a more efficient and effective drug discovery process. Recursion has a broad pipeline of drug candidates in development, and it has partnered with several leading pharmaceutical companies. The company is headquartered in Salt Lake City, Utah.

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

neurons.bio is an AI application that offers a unique collection of over 100 AI agents designed for drug development, medicine, and life science research. These agents perform specific tasks efficiently, retrieve data from various sources, and provide insights to accelerate research processes. The platform aims to revolutionize drug discovery and development by integrating cutting-edge LLM technology with domain-specific agents, reducing research costs and time to clinic.

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.

DrugCard is an AI-enabled Data Intelligence platform designed to streamline drug safety routines for pharmacovigilance processes. It offers solutions for local literature screening, catering to CROs, MAHs, and freelancers in the pharmaceutical industry. With support for multiple languages and regions, DrugCard ensures continuous, transparent, and scalable drug safety processes, saving time and improving efficiency. The platform leverages AI technology to enhance pharmacovigilance practices, providing accurate and holistic screening of medical journals to meet regulatory requirements.

Intelligencia AI is a leading provider of AI-powered solutions for the pharmaceutical industry. Our suite of solutions helps de-risk and enhance clinical development and decision-making. We use a combination of data, AI, and machine learning to provide insights into the probability of success for drugs across multiple therapeutic areas. Our solutions are used by many of the top global pharmaceutical companies to improve their R&D productivity and make more informed decisions.

Dang.ai is an AI Tools Directory that provides a comprehensive list of AI tools and services. It offers a platform for users to discover and explore various AI-powered applications across different categories such as image design, writing, business, chat, audio, chatbot, art, productivity, video, TTS, marketing, code search, and more. Users can find tools for automating emails, marketing strategies, content optimization, video summarization, writing enhancement, anime art generation, web accessibility, survey platforms, sketch rendering, content generation, highlight finding, web accessibility, digital commerce insights, study tools, photo editing, drug development, media creation, logo design, and much more.

JADBio is an automated machine learning (AutoML) platform designed to accelerate biomarker discovery and drug development processes. It offers a no-code solution that automates the discovery of biomarkers and interprets their role based on research needs. JADBio can parse multi-omics data, including genomics, transcriptome, metagenome, proteome, metabolome, phenotype/clinical data, and images, enabling users to efficiently discover valuable insights. The platform is purpose-built for various conditions such as cancer, immune, endocrine, metabolic system, chronic diseases, aging, infectious diseases, and mental health, offering solutions for early biomarker discovery, drug repurposing, lead identification, compound optimization, trial monitoring, and response to treatment. JADBio is trusted by partners in precision health & medicine and is continuously evolving to disrupt drug discovery times and costs at all stages.

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.

Lavo Life Sciences is an AI-accelerated crystal structure prediction application that aims to accelerate drug development processes. The platform provides solutions for de-risking pipelines, optimizing solid-state formulations, and avoiding late-stage surprises using AI technology. Lavo Life Sciences combines the expertise of chemists and engineers in AI and computational chemistry to offer innovative solutions for drug development teams.

Unlearn.ai is an AI-powered digital twins solution provider that optimizes clinical trials. Their TwinRCTs enable confident and quick clinical trials in various medical fields such as neuroscience, immunology, and metabolic diseases. By creating digital twins of patients, Unlearn.ai enhances the power and efficiency of clinical trials, attracting study participants and making confident decisions from early to late-stage studies.

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.

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 SQL query optimizer and database observability tool that specializes in optimizing PostgreSQL and MySQL databases. It offers automatic SQL query optimization, ongoing performance insights, and cost reduction recommendations. With over 100,000 professionals trusting EverSQL, it aims to save time and improve database performance by making SQL queries faster and more efficient.

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.

The Ersilia Model Hub is a unified platform of pre-trained AI/ML models dedicated to infectious and neglected disease research. It offers an open-source, low-code solution that provides seamless access to AI/ML models for drug discovery. Models housed in the hub come from two sources: published models from literature (with due third-party acknowledgment) and custom models developed by the Ersilia team or contributors.

Zeta is a tool designed to build state-of-the-art AI models faster by providing modular, high-performance, and scalable building blocks. It addresses the common issues faced while working with neural nets, such as chaotic codebases, lack of modularity, and low performance modules. Zeta emphasizes usability, modularity, and performance, and is currently used in hundreds of models across various GitHub repositories. It enables users to prototype, train, optimize, and deploy the latest SOTA neural nets into production. The tool offers various modules like FlashAttention, SwiGLUStacked, RelativePositionBias, FeedForward, BitLinear, PalmE, Unet, VisionEmbeddings, niva, FusedDenseGELUDense, FusedDropoutLayerNorm, MambaBlock, Film, hyper_optimize, DPO, and ZetaCloud for different tasks in AI model development.

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.

The 'llms' repository is a comprehensive guide on Large Language Models (LLMs), covering topics such as language modeling, applications of LLMs, statistical language modeling, neural language models, conditional language models, evaluation methods, transformer-based language models, practical LLMs like GPT and BERT, prompt engineering, fine-tuning LLMs, retrieval augmented generation, AI agents, and LLMs for computer vision. The repository provides detailed explanations, examples, and tools for working with LLMs.

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 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**

KG-RAG (Knowledge Graph-based Retrieval Augmented Generation) is a task agnostic framework that combines the explicit knowledge of a Knowledge Graph (KG) with the implicit knowledge of a Large Language Model (LLM). KG-RAG extracts "prompt-aware context" from a KG, which is defined as the minimal context sufficient enough to respond to the user prompt. This framework empowers a general-purpose LLM by incorporating an optimized domain-specific 'prompt-aware context' from a biomedical KG. KG-RAG is specifically designed for running prompts related to Diseases.

TorchRL is an open-source Reinforcement Learning (RL) library for PyTorch. It provides pytorch and **python-first** , low and high level abstractions for RL that are intended to be **efficient** , **modular** , **documented** and properly **tested**. The code is aimed at supporting research in RL. Most of it is written in python in a highly modular way, such that researchers can easily swap components, transform them or write new ones with little effort.

Awesome OpenVINO is a curated list of AI projects based on the OpenVINO toolkit, offering a rich assortment of projects, libraries, and tutorials covering various topics like model optimization, deployment, and real-world applications across industries. It serves as a valuable resource continuously updated to maximize the potential of OpenVINO in projects, featuring projects like Stable Diffusion web UI, Visioncom, FastSD CPU, OpenVINO AI Plugins for GIMP, and more.

LitData is a tool designed for blazingly fast, distributed streaming of training data from any cloud storage. It allows users to transform and optimize data in cloud storage environments efficiently and intuitively, supporting various data types like images, text, video, audio, geo-spatial, and multimodal data. LitData integrates smoothly with frameworks such as LitGPT and PyTorch, enabling seamless streaming of data to multiple machines. Key features include multi-GPU/multi-node support, easy data mixing, pause & resume functionality, support for profiling, memory footprint reduction, cache size configuration, and on-prem optimizations. The tool also provides benchmarks for measuring streaming speed and conversion efficiency, along with runnable templates for different data types. LitData enables infinite cloud data processing by utilizing the Lightning.ai platform to scale data processing with optimized machines.

Party Builder for Genshin Impact is an AI-assisted team creation tool that helps players assemble well-rounded teams by analyzing characters' attributes, constellation levels, weapon types, elemental reactions, roles, and community scores. It allows users to optimize their team compositions for better gameplay experiences. The tool provides a user-friendly interface for easy team customization and strategy planning, enhancing the overall gaming experience for Genshin Impact players.

Laravel Slower is a powerful package designed for Laravel developers to optimize the performance of their applications by identifying slow database queries and providing AI-driven suggestions for optimal indexing strategies and performance improvements. It offers actionable insights for debugging and monitoring database interactions, enhancing efficiency and scalability.

This repository documents how to optimize common algorithms based on CUDA. It includes subdirectories with code implementations for specific optimizations. The optimizations cover topics such as compiling PyTorch from source, NVIDIA's reduce optimization, OneFlow's elementwise template, fast atomic add for half data types, upsample nearest2d optimization in OneFlow, optimized indexing in PyTorch, OneFlow's softmax kernel, linear attention optimization, and more. The repository also includes learning resources related to deep learning frameworks, compilers, and optimization techniques.

llm-analysis is a tool designed for Latency and Memory Analysis of Transformer Models for Training and Inference. It automates the calculation of training or inference latency and memory usage for Large Language Models (LLMs) or Transformers based on specified model, GPU, data type, and parallelism configurations. The tool helps users to experiment with different setups theoretically, understand system performance, and optimize training/inference scenarios. It supports various parallelism schemes, communication methods, activation recomputation options, data types, and fine-tuning strategies. Users can integrate llm-analysis in their code using the `LLMAnalysis` class or use the provided entry point functions for command line interface. The tool provides lower-bound estimations of memory usage and latency, and aims to assist in achieving feasible and optimal setups for training or inference.

A tool for designing nanocarrier systems, tailored to drugs and patient profiles.

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