Best AI tools for< Predict Molecular Properties >

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

Tempus is an AI-enabled precision medicine company that brings the power of data and artificial intelligence to healthcare. With the power of AI, Tempus accelerates the discovery of novel targets, predicts the effectiveness of treatments, identifies potentially life-saving clinical trials, and diagnoses multiple diseases earlier. Tempus's innovative technology includes ONE, an AI-enabled clinical assistant; NEXT, a tool to identify and close gaps in care; LENS, a platform to find, access, and analyze multimodal real-world data; and ALGOS, algorithmic models connected to Tempus's assays to provide additional insight.

Tempus is an AI-enabled precision medicine company that brings the power of data and artificial intelligence to healthcare. With the power of AI, Tempus accelerates the discovery of novel targets, predicts the effectiveness of treatments, identifies potentially life-saving clinical trials, and diagnoses multiple diseases earlier. Tempus' innovative technology includes ONE, an AI-enabled clinical assistant; NEXT, which identifies and closes gaps in care; LENS, which finds, accesses, and analyzes multimodal real-world data; and ALGOS, algorithmic models connected to Tempus' assays to provide additional insight.

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.

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.

The Predict API is a powerful tool that allows you to forecast your data with simplicity and accuracy. It uses the latest advancements in stochastic modeling and machine learning to provide you with reliable projections. The API is easy to use and can be integrated with any application. It is also highly scalable, so you can use it to forecast large datasets. With the Predict API, you can gain valuable insights into your data and make better decisions.

AI Baby Generator is an AI application that predicts what your future child will look like based on parent photos and features. It uses advanced AI technology to generate hyper-realistic baby photos with a high facial match rate. The application offers different packages with varying features, including personalized baby photos at different ages, personality descriptions, and high-quality images delivered within 24 hours. Users can upload photos of themselves or celebrities to see what their future baby might look like. The service is for entertainment purposes only and does not provide medical or predictive information.

Numerai is a data science tournament platform where users can compete to build models that predict the stock market. The platform provides users with clean and regularized hedge fund quality data, and users can build models using Python or R scripts. Numerai also has a cryptocurrency, NMR, which users can stake on their models to earn rewards.

Neurons is a platform that uses AI to predict consumer responses and behavior. It offers a variety of solutions for businesses, including marketing agencies, designers, and e-commerce companies. Neurons' AI-powered tools can help businesses optimize their marketing campaigns, improve their product design, and better understand their customers.

BforeAI is an AI-powered platform that specializes in fighting cyberthreats with intelligence. The platform offers predictive security solutions to prevent phishing, spoofing, impersonation, hijacking, ransomware, online fraud, and data exfiltration. BforeAI uses cutting-edge AI technology for behavioral analysis and predictive results, going beyond reactive blocklists to predict and prevent attacks before they occur. The platform caters to various industries such as financial, manufacturing, retail, and media & entertainment, providing tailored solutions to address unique security challenges.

Heatseeker is an AI-powered market experimentation tool that helps businesses predict customer preferences, conduct feature tests, and generate value propositions. It enables users to answer critical growth questions about market, audience, and product features through AI-powered experiments. Heatseeker provides insights into market trends, competitor analysis, and helps in making data-driven decisions. The platform offers curated recommendations, competitive intelligence, and continuous testing for refining strategies. It automates ad campaign generation, data collection, and provides recommendations for launching new products. Heatseeker is designed to help businesses optimize their marketing efforts and improve their product offerings.

ClosedLoop is a healthcare data science platform that helps organizations improve outcomes and reduce costs by providing accurate, explainable, and actionable predictions of individual-level health risks. The platform offers predictive analytics for various healthcare sectors, data science automation, and a healthcare content library to accelerate time to value. ClosedLoop's AI/ML platform is designed exclusively for the data science needs of modern healthcare organizations, enabling proactive interventions, improved clinical outcomes, and innovative healthcare offerings.

AutoPredict is an AI application that predicts how long a car will last by analyzing over 100 million data points. It offers accurate estimates of a car's life span, providing users with valuable insights based on statistical analysis. The application also provides an API for integrating predictions and statistics into other businesses. AutoPredict Blog shares insights and statistics discovered during the development of their AI model.

Lotto Chart is a highly accurate AI-powered chart for predicting lottery numbers. It harnesses the power of artificial intelligence, statistical analysis, and probability to generate winning combinations for various lotteries. The application processes billions of data points, utilizes 7 powerful prediction models, and provides advanced data-driven predictions to help users increase their chances of winning. Lotto Chart also offers support for seeded predictions, daily updated insights and reports, and tools to easily identify patterns and trends in lottery numbers.

Simpleem is an Artificial Emotional Intelligence (AEI) tool that helps users uncover intentions, predict success, and leverage behavior for successful interactions. By measuring all interactions and correlating them with concrete outcomes, Simpleem provides insights into verbal, para-verbal, and non-verbal cues to enhance customer relationships, track customer rapport, and assess team performance. The tool aims to identify win/lose patterns in behavior, guide users on boosting performance, and prevent burnout by promptly identifying red flags. Simpleem uses proprietary AI models to analyze real-world data and translate behavioral insights into concrete business metrics, achieving a high accuracy rate of 94% in success prediction.

nventr is an AI platform for predictive automation, offering a suite of products and services powered by predictive analytics. The company focuses on applying new approaches to uncover patterns, extract valuable intelligence, and predict outcomes within vast datasets. nventr solutions support enterprise-grade AI acceleration, intelligent data processing, and digital transformation. The platform, nventr.ai, enables rapid building of AI models and software applications through collaborative tools and cloud-based infrastructure.

Tomorrow.io is a Weather Intelligence & Resilience Platform that provides hyper-accurate weather data and insights for organizations and consumers. It offers a range of products and solutions for various industries, leveraging proprietary space data and AI/ML technology to help users predict, make informed decisions, and address weather-related challenges. The platform enables proactive measures to protect infrastructure, optimize operations, and enhance safety in the face of extreme weather events.

CreatorML is an AI-powered platform designed to help YouTube creators optimize their content and grow their channels. Using machine learning, CreatorML's tools can predict how well a video will perform before it's even published, suggest title and thumbnail ideas, and provide insights into what's trending on YouTube. CreatorML is designed for YouTube creators of all levels, from beginners to experienced professionals. It offers a variety of subscription plans to fit every budget and need.

Keepme is an AI-powered platform designed for gyms to boost sales, predict and prevent attrition, and enhance member retention. It offers features such as Keepme Score™ for predicting attrition, smart lead scoring, gym tours & trials scheduler, NPS surveys, smart campaigns & automations, smart content production, and WhatsApp integration. The platform provides personalized training and world-class support through Keepme Academy and customer success team. Keepme is trusted by over 450 fitness clubs globally and offers valuable AI resources to empower users with knowledge.

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.

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.

AIRS is a collection of open-source software tools, datasets, and benchmarks focused on Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. The goal is to develop and maintain an integrated, open, reproducible, and sustainable set of resources to advance the field of AI for Science. The current resources include tools for Quantum Mechanics, Density Functional Theory, Small Molecules, Protein Science, Materials Science, Molecular Interactions, and Partial Differential Equations.

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.

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.

AIMNet2 Calculator is a package that integrates the AIMNet2 neural network potential into simulation workflows, providing fast and reliable energy, force, and property calculations for molecules with diverse elements. It excels at modeling various systems, offers flexible interfaces for popular simulation packages, and supports long-range interactions using DSF or Ewald summation Coulomb models. The tool is designed for accurate and versatile molecular simulations, suitable for large molecules and periodic calculations.

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.

ADMET-AI is a platform for ADMET prediction using Chemprop-RDKit models trained on ADMET datasets from the Therapeutics Data Commons. It offers command line, Python API, and web server interfaces for making ADMET predictions on new molecules. The platform can be easily installed using pip and supports GPU acceleration. It also provides options for processing TDC data, plotting results, and hosting a web server. ADMET-AI is a machine learning platform for evaluating large-scale chemical libraries.

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.

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.

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.

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 guide to electron configurations with a fun, cartoony approach.

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

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A moot competition companion. & Trial Prep companion . Test and improve arguments- predict your opponent's reaction.

Personalized, analytical sports prediction AI.

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