Best AI tools for< Molecular Design >

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.

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.

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

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.

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.

Genesis Therapeutics is an AI platform that leverages cutting-edge technology to revolutionize drug discovery and development processes. The platform integrates advanced algorithms and machine learning models to accelerate the identification of novel drug candidates and optimize their properties. By combining computational simulations with experimental data, Genesis Therapeutics offers a comprehensive solution to streamline the drug development pipeline and bring innovative therapies to market faster. The platform is designed to empower researchers and pharmaceutical companies with powerful tools for predicting drug-target interactions, optimizing molecular structures, and prioritizing lead compounds for further investigation.

BugFree.ai is an AI-powered platform designed to help users practice system design and behavior interviews, similar to Leetcode. The platform offers a range of features to assist users in preparing for technical interviews, including mock interviews, real-time feedback, and personalized study plans. With BugFree.ai, users can improve their problem-solving skills and gain confidence in tackling complex interview questions.

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.

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.

QuantNexus is an applied research collective that pioneers the future of molecular discovery through intelligent automation. Their mission is to empower the next generation of scientists by creating a human and AI partnership that advances biology significantly. The platform, NovoQuantNexus, fuses machine intelligence with human creativity to achieve breakthroughs in record time, outpacing conventional methods and pure-AI approaches. Researchers in pharma, biotech, and academia are leveraging this technology to accelerate discovery and redefine possibilities in life sciences.

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.

Paige is a leading AI company revolutionizing pathology with next-generation technology. They provide diagnostic and biomarker AI, predictive analytics technology, and AI-assisted applications to support cancer detection, subtyping, and molecular biomarker discovery from tissue samples. Paige offers a range of AI suites for prostate, breast, colon, and PanCancer, as well as the innovative Paige Alba™ multi-modal co-pilot. Their advanced AI technology and services help streamline AI development, optimize existing applications, and drive groundbreaking advancements in cancer care.

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.

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.

REINVENT is a molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design, molecule optimization, and other small molecule design tasks. It uses a Reinforcement Learning (RL) algorithm to generate optimized molecules compliant with a user-defined property profile defined as a multi-component score. Transfer Learning (TL) can be used to create or pre-train a model that generates molecules closer to a set of input molecules.

Research assistant for Atomic, Molecular, and Optics Physics

Assists in evaluating protein engineering tools.

A GPT that can provides lectures on Statistical Mechanics

I assist with statistical analysis for molecular biology

Academic-level genomics expertise.

Genome Guide: Powered by OpenAI - A leader in genomic data analysis.

Echoes Watson & Crick, educates on DNA with depth.

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

A guide to electron configurations with a fun, cartoony approach.

生物化学领域的知识型助手，避免提供医学建议。

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

A Beginners Guide to Quantum Magic