Best AI tools for< Chemical Synthesis >

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.

C&EN, a publication of the American Chemical Society, provides the latest news and insights on the chemical industry, including research, technology, business, and policy. It covers a wide range of topics, including analytical chemistry, biological chemistry, business, careers, education, energy, environment, food, materials, people, pharmaceuticals, physical chemistry, policy, research integrity, safety, and synthesis.

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

Osium AI is a cutting-edge AI-powered software designed to accelerate the development of sustainable and high-performance materials and chemicals. The platform leverages proprietary technology developed by experts with 10 years of experience in AI and authors of multiple AI patents. Osium AI offers a comprehensive solution that covers every step of materials and chemicals development cycles, from formulation and characterization to scale-up and manufacturing. The software is flexible, adaptable to various R&D projects, and eliminates trial-and-error approaches, unlocking the full potential of R&D with its advanced functionalities.

Math Sniper is an AI-powered application designed to provide precise math solutions, exam preparation assistance, and exploration of mathematical concepts. The app offers step-by-step solutions to math challenges at all levels, connects users with math tutors for personalized help, and covers a wide range of subjects beyond mathematics, such as biology, chemistry, physics, history, economics, and language tasks. With features like Snap & Ask for instant answers, step-by-step explanations, and a user-friendly interface, Math Sniper aims to enhance users' understanding of complex concepts and facilitate learning in various disciplines.

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.

Chemprop is a PyTorch-based framework for training and evaluating message-passing neural networks (MPNNs) for molecular property prediction. Originally developed for research purposes, Chemprop offers a comprehensive set of tools and features for training models and analyzing molecular representations. The package underwent a recent major release (v2.0.0) with significant improvements and updates.

Atomwise is an artificial intelligence (AI)-driven drug discovery company that uses machine learning to discover and develop new small molecule medicines. The company's AI engine combines the power of convolutional neural networks with massive chemical libraries to identify new drug candidates. Atomwise has a wholly owned pipeline of drug discovery programs and also partners with other pharmaceutical companies to co-develop drugs. The company's investors include prominent venture capital firms and pharmaceutical companies.

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.

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.

SpoiledChild is a skincare and haircare brand that uses AI to personalize product recommendations for its customers. The company's products are designed to help people look and feel younger, and they are made with high-quality ingredients that are free of harsh chemicals. SpoiledChild offers a wide range of products, including serums, moisturizers, masks, and supplements. The company also has a team of experts who can provide personalized advice on how to use their products. SpoiledChild is committed to sustainability, and they use recycled materials in their packaging and offer a refill program for their products.

Ripik.ai is an applied AI company developing computer vision agents—an automated pair of eyes for industries like steel, cement, and chemicals. These AI-driven agents provide 24/7 monitoring with 95%+ accuracy, enabling real-time decision-making while eliminating human error and inefficiencies. Ripik's Computer Vision AI Platform offers solutions for material, process, and equipment monitoring, driving higher throughput, improved energy efficiency, and enhanced quality, delivering direct and measurable gains across industrial operations.

C3 AI provides a comprehensive Enterprise AI application development platform and a large and growing family of turnkey enterprise AI applications. C3 AI's platform provides all necessary software services in one integrated suite to rapidly develop, provision, and operate Enterprise AI applications. C3 AI's applications are designed to meet the business-critical needs of global enterprises in various industries, including manufacturing, financial services, government, utilities, oil and gas, chemicals, agribusiness, defense and intelligence.

OMP is a supply chain planning solution that accelerates the path to supply chain excellence. It is built on deep industry expertise and powered by AI to deliver tangible results. OMP provides decision-centric planning platform covering demand and supply planning, from strategic to operational levels, tailored to specific industries like chemicals, consumer goods, life sciences, metals, and paper/plastics/packaging.

Awesome-Jailbreak-on-LLMs is a collection of state-of-the-art, novel, and exciting jailbreak methods on Large Language Models (LLMs). The repository contains papers, codes, datasets, evaluations, and analyses related to jailbreak attacks on LLMs. It serves as a comprehensive resource for researchers and practitioners interested in exploring various jailbreak techniques and defenses in the context of LLMs. Contributions such as additional jailbreak-related content, pull requests, and issue reports are welcome, and contributors are acknowledged. For any inquiries or issues, contact [email protected]. If you find this repository useful for your research or work, consider starring it to show appreciation.

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.

Factorio Learning Environment is an open source framework designed for developing and evaluating LLM agents in the game of Factorio. It provides two settings: Lab-play with structured tasks and Open-play for building large factories. Results show limitations in spatial reasoning and automation strategies. Agents interact with the environment through code synthesis, observation, action, and feedback. Tools are provided for game actions and state representation. Agents operate in episodes with observation, planning, and action execution. Tasks specify agent goals and are implemented in JSON files. The project structure includes directories for agents, environment, cluster, data, docs, eval, and more. A database is used for checkpointing agent steps. Benchmarks show performance metrics for different configurations.

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.

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.

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.

This repository focuses on exploring tools that enhance the performance of language models for various tasks. It provides a structured list of literature relevant to tool-augmented language models, covering topics such as tool basics, tool use paradigm, scenarios, advanced methods, and evaluation. The repository includes papers, preprints, and books that discuss the use of tools in conjunction with language models for tasks like reasoning, question answering, mathematical calculations, accessing knowledge, interacting with the world, and handling non-textual modalities.

A repository that lists papers related to Large Language Model (LLM) based agents. The repository covers various topics including survey, planning, feedback & reflection, memory mechanism, role playing, game playing, tool usage & human-agent interaction, benchmark & evaluation, environment & platform, agent framework, multi-agent system, and agent fine-tuning. It provides a comprehensive collection of research papers on LLM-based agents, exploring different aspects of AI agent architectures and applications.

This repository contains a collection of papers related to tool learning with large language models (LLMs). The papers are organized according to the survey paper 'Tool Learning with Large Language Models: A Survey'. The survey focuses on the benefits and implementation of tool learning with LLMs, covering aspects such as task planning, tool selection, tool calling, response generation, benchmarks, evaluation, challenges, and future directions in the field. It aims to provide a comprehensive understanding of tool learning with LLMs and inspire further exploration in this emerging area.

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.

The LLMEvaluation repository is a comprehensive compendium of evaluation methods for Large Language Models (LLMs) and LLM-based systems. It aims to assist academics and industry professionals in creating effective evaluation suites tailored to their specific needs by reviewing industry practices for assessing LLMs and their applications. The repository covers a wide range of evaluation techniques, benchmarks, and studies related to LLMs, including areas such as embeddings, question answering, multi-turn dialogues, reasoning, multi-lingual tasks, ethical AI, biases, safe AI, code generation, summarization, software performance, agent LLM architectures, long text generation, graph understanding, and various unclassified tasks. It also includes evaluations for LLM systems in conversational systems, copilots, search and recommendation engines, task utility, and verticals like healthcare, law, science, financial, and others. The repository provides a wealth of resources for evaluating and understanding the capabilities of LLMs in different domains.

LLM4EC is an interdisciplinary research repository focusing on the intersection of Large Language Models (LLM) and Evolutionary Computation (EC). It provides a comprehensive collection of papers and resources exploring various applications, enhancements, and synergies between LLM and EC. The repository covers topics such as LLM-assisted optimization, EA-based LLM architecture search, and applications in code generation, software engineering, neural architecture search, and other generative tasks. The goal is to facilitate research and development in leveraging LLM and EC for innovative solutions in diverse domains.

Professional chemistry assistant, SMILES/SMART supported molecule and reaction diagrams, and more!

A scientific guide to chemicals and their properties.

Your chemical engineering expert.

Chemical biology expert for literature, data viz, and coding

Turbocharge your research and streamline your path to breakthrough findings. Leveraging the vast resources of PubChem, this GPT taps into a wealth of chemical data—from substances to proteins and patents—unleashing the full potential of your data for richer, more informed discoveries.

Expert in generating and explaining mathematical, chemical, and computational formulas.

Expert on lye, providing detailed chemical information and safety guidelines.

Dietician that helps those with IBS manage their symptoms via FODMAPs. FODMAP stands for fermentable oligosaccharides, disaccharides, monosaccharides and polyols. These are the chemical names of 5 naturally occurring sugars that are not well absorbed by your small intestine.

Assistente para Engenharia Química e Teses

Advanced AI for chemistry, offering innovative solutions, process optimizations, and safety assessments, powered by OpenAI.

Guides the implementation of fluid mechanics principles in engineering projects.

Explores the science of indestructible materials and concepts.

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

Identifies signals in 1H and 13C NMR spectra, suggesting possible structures.

An educational guide to exploring the world of chemistry.

Leading AI in graphene research, offering innovative insights and solutions, powered by OpenAI.

Quick quiz Q's with hints for engineers trying not to forget.

Friendly, professional interviewer for engineering roles.

Expert in engineering knowledge

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