Best AI tools for< Drug Design >

Exscientia is a technology-driven drug design and development company that combines precision design with integrated experimentation to create more effective medicines for patients faster. They operate at the interfaces of human ingenuity, artificial intelligence (AI), automation, and physical engineering, pioneering the use of AI in drug discovery. Exscientia aims to change the underlying economics of drug discovery by rapidly advancing the best scientific ideas into medicines for patients.

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.

XtalPi is a world-leading technology company driven by artificial intelligence (AI) and robotics to innovate in the fields of life sciences and new materials. Founded in 2015 at the Massachusetts Institute of Technology (MIT), the company is committed to realizing digital and intelligent innovation in the fields of life sciences and new materials. Based on cutting-edge technologies and capabilities such as quantum physics, artificial intelligence, cloud computing, and large-scale experimental robot clusters, the company provides innovative technologies, services, and products for global industries such as biomedicine, chemicals, new energy, and new materials.

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.

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.

Synthace is a software and expertise platform designed for Discovery Biology Teams to streamline and optimize their experiments in assay development, media optimization, and purification process development. The platform offers software solutions, training, and on-site support from specialists to help scientists conduct experiments more efficiently and effectively. By leveraging multifactorial methods and automation, Synthace aims to accelerate drug discovery processes and deliver faster, definitive results.

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.

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.

DrugCard is an AI-enabled Data Intelligence platform designed to streamline drug safety routines by providing continuous and regular, traceable, transparent, accurate, complete, and scalable solutions for pharmacovigilance processes. The platform supports over 100 languages, monitors 1000+ local journals, and saves up to 70% of time compared to manual approaches. DrugCard caters to CROs, MAHs, and freelancers, offering efficient local literature screening services to ensure compliance with regulatory requirements and enhance productivity.

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.

PumasAI is an AI tool designed to accelerate access to life-saving treatments for patients by providing data analytics tools and personalized treatments for drug development and healthcare delivery needs. The company has been recognized for its innovative contributions to the pharmaceutical industry, helping in making data-driven decisions more efficiently. PumasAI aims to save time and money for its clients through its fine-tuned offerings and successful regulatory submissions.

BenevolentAI is a leader in applying advanced AI to accelerate biopharma drug discovery blending science and technology with a focus on finding solutions for complex diseases. We empower both biopharmaceutical companies and our internal scientists to harness the full potential of data and AI to accelerate the next generation of scientific advances. We have built our AI-enabled drug discovery engine to drive a revolution in drug discovery. The Benevolent Platform™ unlocks the power of a vast biomedical data landscape to provide a multidimensional representation of human biology across all diseases. We believe this approach will improve the probability of clinical success, and help us deliver life-changing treatments to patients – because it matters.

NVIDIA is a world leader in artificial intelligence computing. The company's products and services are used by businesses and governments around the world to develop and deploy AI applications. NVIDIA's AI platform includes hardware, software, and tools that make it easy to build and train AI models. The company also offers a range of cloud-based AI services that make it easy to deploy and manage AI applications. NVIDIA's AI platform is used in a wide variety of industries, including healthcare, manufacturing, retail, and transportation. The company's AI technology is helping to improve the efficiency and accuracy of a wide range of tasks, from medical diagnosis to product design.

The Unlearn Platform is an AI-powered tool designed to streamline clinical trials by creating digital twins of patients using clinical trial data. It offers unparalleled precision in predicting clinical outcomes at future time points, ultimately minimizing trial failure, reducing costs, and accelerating approval processes. The platform enhances trial efficiency, insights, and impact, tailored to the specific needs of each study.

Genesis Therapeutics is a cutting-edge platform that leverages molecular AI technology to discover and develop highly potent and selective medicines. Their proprietary AI platform, GEMS, combines AI and physics research to target challenging protein structures and create innovative drug candidates with exceptional efficacy. The company's success is driven by a collaborative approach, bringing together experts in AI and biotech to tackle complex drug discovery challenges.

VantAI is an AI application focused on generative AI-enabled drug discovery. Their mission is to unlock a new chapter in medicine by making protein interactions programmable. They have an integrated discovery platform with phase-shifting technologies designed to unlock the full potential of the proximity modulator modality. VantAI collaborates with industry leaders to build the future of therapeutic design. The company has launched Neo-1, the first AI model to rewire molecular interactions by unifying structure prediction and generation.

AiCure provides a patient-centric eClinical trial management platform that enhances drug development through improved medication adherence rates, more powerful analysis and prediction of treatment response using digital biomarkers, and reduced clinical tech burden. AiCure's solutions support traditional, decentralized, or hybrid trials and offer flexibility to meet the needs of various research designs.

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.

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.

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.

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.

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.

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**

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.

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.

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.

ToolUniverse is a collection of 211 biomedical tools designed for Agentic AI, providing access to biomedical knowledge for solving therapeutic reasoning tasks. The tools cover various aspects of drugs and diseases, linked to trusted sources like US FDA-approved drugs since 1939, Open Targets, and Monarch Initiative.

NVIDIA BioNeMo Framework is a collection of programming tools, libraries, and models for computational drug discovery. It accelerates building and adapting biomolecular AI models by providing domain-specific, optimized models and tooling for GPU-based computational resources. The framework offers comprehensive documentation and support for both community and enterprise users.

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.

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.

LinkedIn_AIHawk is an automated tool designed to revolutionize the job search and application process on LinkedIn. It leverages automation and artificial intelligence to efficiently apply to relevant positions, personalize responses, manage application volume, filter listings, generate dynamic resumes, and handle sensitive information securely. The tool aims to save time, increase application relevance, and enhance job search effectiveness in today's competitive landscape.

The RISE Journal Club is a bi-weekly reading group that provides a friendly environment for discussing state-of-the-art papers in medical image analysis, AI, and computer vision. The club aims to enhance critical and design thinking skills essential for researchers. Moderators introduce papers for discussion on various topics such as registration, segmentation, federated learning, fairness, and reinforcement learning. The club covers papers from machine and deep learning communities, offering a broad overview of cutting-edge methods.

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.

Taiyi (太一) is a bilingual large language model fine-tuned for diverse biomedical tasks. It aims to facilitate communication between healthcare professionals and patients, provide medical information, and assist in diagnosis, biomedical knowledge discovery, drug development, and personalized healthcare solutions. The model is based on the Qwen-7B-base model and has been fine-tuned using rich bilingual instruction data. It covers tasks such as question answering, biomedical dialogue, medical report generation, biomedical information extraction, machine translation, title generation, text classification, and text semantic similarity. The project also provides standardized data formats, model training details, model inference guidelines, and overall performance metrics across various BioNLP tasks.

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.

AI2BMD is a program for efficiently simulating protein molecular dynamics with ab initio accuracy. The repository contains datasets, simulation programs, and public materials related to AI2BMD. It provides a Docker image for easy deployment and a standalone launcher program. Users can run simulations by downloading the launcher script and specifying simulation parameters. The repository also includes ready-to-use protein structures for testing. AI2BMD is designed for x86-64 GNU/Linux systems with recommended hardware specifications. The related research includes model architectures like ViSNet, Geoformer, and fine-grained force metrics for MLFF. Citation information and contact details for the AI2BMD Team are provided.

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.

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

An expert in Drug Delivery Systems Industry, providing in-depth, accurate insights.

AI protein design assistant

A Specialized Biochemistry and Pharmaceutical Research Assistant

Non-judgemental drug harm reduction assistant providing safe usage and interaction info.

A drug encyclopedia for medical professionals, providing detailed drug information and tailored suggestions.

GPT for drug interactions. Enter at least two medication names to learn about potential drug interactions.

Remember Drug Wars on the TI-83?

Medication expert assisting with drug information

Comprehensive drug and medication informations.

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Adivce on all things drugs!

Expert in pharmacotherapy treatment.

薬剤師ナカショウが薬や健康知識について山口弁で答えるBotです。※あくまで参考程度にお使いください。

Assiste en français pour évaluer les médicaments avec des recherches en ligne.

Expert in pharmaceuticals, providing informative insights.

To provide a comprehensive AI-assisted learning experience for 2nd-year pharmacy students, aiming to enhance understanding, retention, and application of pharmaceutical knowledge.

Mafya dedesi

Especialista em Teses e Dissertações de Farmácia

User-Friendly Pharma Marketing Guide. Help answer questions, and provide ideas on targeting consumers and HCPs