Best AI Molecular Design Platforms Companies

InstaDeep focuses on delivering artificial intelligence (AI)-powered decision-making systems for various enterprise sectors. The company offers solutions that leverage computing, deep learning, and reinforcement learning to address challenges in industries such as biology, logistics, electronic design, and energy. Its products and services are designed to help the capabilities of businesses by providing advanced AI tools and research insights. InstaDeep was formerly known as Digital Ink Group. It was founded in 2014 and is based in London, United Kingdom.

Iktos specializes in artificial intelligence and robotics applied to medicinal chemistry and new drug design within the pharmaceutical industry. The company provides generative AI solutions for the design of small molecules, AI-driven retrosynthesis, and automated synthesis and testing processes, which are intended to support the drug discovery process. Iktos primarily serves the pharmaceutical and biotechnology sectors, offering SaaS platforms and engaging in collaborations to aid drug development. It was founded in 2016 and is based in Paris, France.

VantAI operates in the field of generative AI-enabled drug discovery within the biotechnology sector. The company focuses on creating computational models that analyze relationships between molecules, targets, and diseases, allowing for the identification and generation of new molecular entities as well as the repurposing of existing molecules. VantAI's platform can model protein-protein interactions, which is relevant for the discovery of biologics, protein degraders, and small-molecule drugs. It was founded in 2019 and is based in New York, New York.

Isomorphic Laboratories serves as a digital biology company that operates in the pharmaceutical and artificial intelligence sectors. The company's main service is to use artificial intelligence, specifically machine learning, to transform and expedite the drug discovery process. The company primarily serves the pharmaceutical industry. It was founded in 2021 and is based in London, United Kingdom.

Variational AI is a company focused on drug discovery utilizing generative AI within the biopharmaceutical sector. The company offers Enki, a platform that generates novel drug-like small molecules based on user-defined therapeutic product profiles (TPP) without requiring prior data. Variational AI primarily serves the biopharmaceutical industry, collaborating with partners to develop new therapeutics. It was founded in 2019 and is based in Vancouver, Canada.

Atommap focuses on computation-driven drug discovery at atomic precision within the pharmaceutical industry. The company provides a platform for predicting protein-ligand binding affinities and designing drug molecules, utilizing physics-based models and machine learning to aid the drug development process. Atommap operates in various sectors of the pharmaceutical industry, emphasizing drug design and targeted protein degradation. It was founded in 2023 and is based in New York, New York.

Chai Discovery focuses on leveraging artificial intelligence to understand and manipulate the interactions between biochemical molecules within the life sciences domain. The company develops AI foundation models that predict and potentially reprogram the fundamental interactions between these molecules. These technologies cater to sectors that require insights into molecular behavior and biological system manipulation. It was founded in 2024 and is based in New York, New York.

Cloud Pharmaceuticals engages in artificial intelligence-based drug discovery and development within the healthcare and technology sectors. The company provides services related to molecule design, preclinical research, optimization, evaluation, and clinical research planning and study design for novel drug compounds. Cloud Pharmaceuticals serves the pharmaceutical, biotechnology, and medical research markets. It is based in Durham, North Carolina.

Inductive Bio applies data and machine learning to address small molecule ADMET challenges within the pharmaceutical industry. The company provides tools including ADMET data, machine learning models, and a chemistry design software platform that offers predictions to assist in drug discovery. Inductive Bio serves the pharmaceutical sector, aiming to improve the drug development process through computational methods. It was founded in 2022 and is based in San Francisco, California.

Leash Bio focuses on transforming drug design through the use of machine learning and operates within the biotechnology and pharmaceutical sectors. The company offers a platform that generates a vast dataset of protein-molecule interactions, which is used to train machine learning models for the purpose of accelerating drug discovery. It primarily serves the biopharmaceutical industry by providing data-driven insights and tools to aid in the development of new medications. The company was founded in 2021 and is based in Salt Lake City, Utah.

MegaRobo is a technology company that focuses on providing advanced productivity tools through the integration of robotics, automation, and artificial intelligence with industry applications. The company offers a range of intelligent automation products for life sciences, new drug development, clinical diagnostics, applied chemistry, and advanced manufacturing sectors. MegaRobo's solutions are also widely applied in the advanced manufacturing domain, serving industries such as integrated circuits, new displays, and green energy. It was founded in 2016 and is based in Beijing, China.

Syntekabio is a biotechnology company that focuses on drug discovery and development using artificial intelligence and next-generation sequencing. The company works on discovering and developing new molecular entities for drug development, using a genomic database and supercomputing infrastructure. Syntekabio collaborates with academic institutions, industrial partners, and government research labs. Syntekabio was formerly known as Yoobiori. It was founded in 2009 and is based in Daejeon, South Korea.

Transcripta Bio specializes in drug discovery within the biotechnology sector. Its platform leverages artificial intelligence (AI) to generate transcriptomic data, which informs the development of new therapies by mapping the effects of various compounds on gene activity. The company primarily caters to the pharmaceutical industry by providing a pipeline for identifying and validating novel drug candidates. Transcripta Bio was formerly known as Rarebase. It was founded in 2020 and is based in Palo Alto, California.

X-Chem specializes in small molecule drug discovery and DNA-encoded library (DEL) technology within the pharmaceutical and biotechnology sectors. The company provides services including DEL screening, medicinal chemistry, and the use of artificial intelligence through its ArtemisAI platform to support the drug discovery process from hit-to-lead to candidate. X-Chem serves pharmaceutical companies and biotechnology firms involved in developing new therapeutics across various disease areas. It was founded in 2010 and is based in Waltham, Massachusetts.

XtalPi is a drug research and development company in the life sciences sector, utilizing quantum physics and artificial intelligence (AI). The company provides drug discovery solutions that incorporate quantum physics, artificial intelligence, and laboratory technologies aimed at drug development. XtalPi serves the pharmaceutical and materials science industries with various drug discovery and material science research services. It was founded in 2015 and is based in Shenzhen, China.