Chemprop

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.

CEBRA is a self-supervised learning algorithm designed for obtaining interpretable embeddings of high-dimensional recordings using auxiliary variables. It excels in compressing time series data to reveal hidden structures, particularly in behavioral and neural data. The algorithm can decode neural activity, reconstruct viewed videos, decode trajectories, and determine position during navigation. CEBRA is a valuable tool for joint behavioral and neural analysis, providing consistent and high-performance latent spaces for hypothesis testing and label-free applications across various datasets and species.

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

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 insights for various conditions such as cancer, immune system disorders, chronic diseases, infectious diseases, and mental health. The platform is trusted by partners in precision health and medicine and is continuously evolving to disrupt drug discovery times and costs at all stages.

Medeloop is a revolutionary platform in health research that leverages machine learning and big data analytics to accelerate breakthrough discoveries in disease research. The platform provides a comprehensive data-linking infrastructure to solve the problem of wasted health and medical data for both patients and researchers. Medeloop's multi-modal data linkage platform enables researchers to access and analyze diverse data types using analytical tools and programming languages. By utilizing machine learning and artificial intelligence algorithms, Medeloop drives the discovery and development of new therapies, making it a key player in changing the nature of healthcare for the better.

Genie TechBio is the world's first AI bioinformatician, offering an LLM-powered omics analysis software that operates entirely in natural language, eliminating the need for coding. Researchers can effortlessly analyze extensive datasets by engaging in a conversation with Genie, receiving recommendations for analysis pipelines, and obtaining results. The tool aims to accelerate biomedical research and empower scientists with newfound data analysis capabilities.

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.

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.

Bethge Lab is an AI research group at the University of Tübingen focusing on Neuro AI - Autonomous Lifelong Learning in Machines and Brains. They develop machine learning tools for neural data analysis and draw inspiration from the brain to address key problems in machine learning. Their research includes representation learning, probabilistic inference, generative modeling, behavioral data analysis, and neural data analysis. Additionally, they explore AI sciencepreneurship and collaborate with startups. Bethge Lab aims to advance the understanding of autonomous learning and develop economically feasible solutions for long-term human needs.

Generative Aid Data Scientist is an AI tool designed to assist data scientists in generating insights and analysis from complex datasets. It utilizes advanced algorithms and machine learning techniques to provide valuable recommendations and predictions for data-driven decision-making. The tool offers a user-friendly interface that allows data scientists to input their data and receive actionable results in a timely manner. With its powerful capabilities, Generative Aid Data Scientist streamlines the data analysis process and enhances the efficiency of data-driven projects.

Notably is a research synthesis platform that uses AI to help researchers analyze and interpret data faster. It offers a variety of features, including a research repository, AI research, digital sticky notes, video transcription, and cluster analysis. Notably is used by companies and organizations of all sizes to conduct product research, market research, academic research, and more.

Deepcell is a company that develops technology for single-cell analysis. Their REM-I platform combines label-free imaging, deep learning, and gentle sorting to leverage single cell morphology as a high-dimensional quantitative readout. This allows researchers to gain insights into cells' phenotype and function to address important research questions across biology.

Hepta AI is an AI-powered statistics tool designed for scientific research. It simplifies the process of statistical analysis by allowing users to easily input their data and receive comprehensive results, including tables, graphs, and statistical analysis. With a focus on accuracy and efficiency, Hepta AI aims to streamline the research process for scientists and researchers, providing valuable insights and data visualization. The tool offers a user-friendly interface and advanced AI algorithms to deliver precise and reliable statistical outcomes.

Towards Data Science is a Medium publication dedicated to sharing concepts, ideas, and codes in the field of data science. It provides a platform for data scientists, researchers, and practitioners to connect, learn, and contribute to the advancement of the field.

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.

PubCompare is a powerful AI-powered tool that helps scientists search, compare, and evaluate experimental protocols. With over 40 million protocols in its database, PubCompare is the largest repository of trusted experimental protocols. PubCompare's AI-powered search features allow users to find similar protocols, highlight critical steps, and evaluate the reproducibility of protocols based on in-protocol citations. PubCompare is available from any computer and requires no download.

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.

fast.ai is an AI tool that offers courses and resources on deep learning and practical applications of artificial intelligence. The platform provides high-level components for practitioners to achieve state-of-the-art results in standard deep learning tasks. It aims to increase diversity in the field of deep learning and lower barriers to entry for everyone.

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 insights for various conditions such as cancer, immune system disorders, chronic diseases, infectious diseases, and mental health. The platform is trusted by partners in precision health and medicine and is continuously evolving to disrupt drug discovery times and costs at all stages.

Cradle is a protein engineering platform that uses machine learning to design improved protein sequences. It allows users to import assay data, generate new sequences, test them in the lab, and import the results to improve the model. Cradle can be used to optimize multiple properties of a protein simultaneously, and it has been used by leading biotech teams to accelerate new and ongoing projects.

PubCompare is a powerful AI-powered tool that helps scientists search, compare, and evaluate experimental protocols. With over 40 million protocols in its database, PubCompare is the largest repository of trusted experimental protocols. PubCompare's AI-powered search features allow users to find similar protocols, highlight critical steps, and evaluate the reproducibility of protocols based on in-protocol citations. PubCompare is available from any computer and requires no download.

Insitro is a drug discovery and development company that uses machine learning and data to identify and develop new medicines. The company's platform integrates in vitro cellular data produced in its labs with human clinical data to help redefine disease. Insitro's pipeline includes wholly-owned and partnered therapeutic programs in metabolism, oncology, and neuroscience.

Deep Genomics is a company that uses artificial intelligence (AI) to develop RNA therapies for genetic diseases. The company's AI platform is designed to identify novel targets and evaluate thousands of possibilities to identify the best therapeutic candidates. Deep Genomics is currently developing BigRNA+, which will expand the number of mechanisms and genetic variants the company can pursue.

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.

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.

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.

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.

Bionl is a no-code bioinformatics platform designed to streamline biomedical research for researchers and scientists. It offers a full workspace with features such as bioinformatics pipelines customization, GenAI for data analysis, AI-powered literature search, PDF analysis, and access to public datasets. Bionl aims to automate cloud, file system, data, and workflow management for efficient and precise analyses. The platform caters to Pharma and Biotech companies, academic researchers, and bioinformatics CROs, providing powerful tools for genetic analysis and speeding up research processes.

Genie TechBio is the world's first AI bioinformatician, offering an LLM-powered omics analysis software that operates entirely in natural language, eliminating the need for coding. Researchers can effortlessly analyze extensive datasets by engaging in a conversation with Genie, receiving recommendations for analysis pipelines, and obtaining results. The tool aims to accelerate biomedical research and empower scientists with newfound data analysis capabilities.

HoloEye.AI is a transformative AI biological intelligence company that leverages cutting-edge artificial intelligence technology to revolutionize the field of biological research. The platform offers advanced AI solutions for analyzing complex biological data, enabling researchers to gain deeper insights and accelerate scientific discoveries.

Mapmygenome is an AI-powered platform that offers DNA testing products for health, fitness, and beauty. It provides personalized insights based on genetic analysis to help individuals make informed decisions about their health, wellness, and lifestyle choices. With over 23 years of genomics experience and the latest sequencing technology, Mapmygenome aims to empower users to take proactive steps towards improving their overall well-being.

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.

Manifold is an AI data platform designed specifically for life sciences. It offers a collaborative workbench, data science tools, AI-powered cohort exploration, batch bioinformatics, data dashboards, data engineering solutions, access control, and more. The platform aims to enable faster collaboration and research in the life sciences field by providing a comprehensive suite of tools and features. Trusted by leading institutions, Manifold helps streamline data collection, analysis, and collaboration to accelerate scientific research.

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.

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.

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.

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.

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

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.

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.

PureSoft Labs OÜ is a product-based tech startup based in Europe, committed to building B2B and B2C SaaS solutions — both AI-powered and traditional. They focus on responsible, ethical, and sustainable technology that serves its users. The company offers a range of AI-powered products designed to enhance education, mathematics, banking, homework solving, and chemistry assistance. Their products prioritize transparency, security, and performance, aiming to empower businesses and individuals with innovative and responsible technology solutions.

Formula Wizard is an AI-powered software designed to assist users in writing Excel, Airtable, and Notion formulas effortlessly. By leveraging artificial intelligence, the application automates the process of formula creation, allowing users to save time and focus on more critical tasks. With features like automating tedious tasks, unlocking insights from data, and customizing templates, Formula Wizard streamlines the formula-writing process for various spreadsheet applications.