Best AI tools for< Computational Biologist >

CCDS (Center for Computational & Data Sciences) is a research center at Independent University Bangladesh dedicated to artificial intelligence, data sciences, and computational science. The center has various wings focusing on AI, computational biology, physics, data science, human-computer interaction, and industry partnerships. CCDS explores the use of computation to understand nature and society, uncover hidden stories in data, and tackle complex challenges. The center collaborates with institutions like CERN and the Dunlap Institute for Astronomy and Astrophysics.

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.

Owkin is a full-stack AI biotech company that integrates the best of human and artificial intelligence to deliver better drugs and diagnostics at scale. By understanding complex biology through AI, Owkin identifies new treatments, de-risks and accelerates clinical trials, and builds diagnostic tools to reduce time to impact for patients.

Cerebras is an AI tool that offers products and services related to AI supercomputers, cloud system processors, and applications for various industries. It provides high-performance computing solutions, including large language models, and caters to sectors such as health, energy, government, scientific computing, and financial services. Cerebras specializes in AI model services, offering state-of-the-art models and training services for tasks like multi-lingual chatbots and DNA sequence prediction. The platform also features the Cerebras Model Zoo, an open-source repository of AI models for developers and researchers.

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

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.

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.

Artificial Intelligence: Foundations of Computational Agents, 3rd edition by David L. Poole and Alan K. Mackworth, Cambridge University Press 2023, is a book about the science of artificial intelligence (AI). It presents artificial intelligence as the study of the design of intelligent computational agents. The book is structured as a textbook, but it is accessible to a wide audience of professionals and researchers. In the last decades we have witnessed the emergence of artificial intelligence as a serious science and engineering discipline. This book provides an accessible synthesis of the field aimed at undergraduate and graduate students. It provides a coherent vision of the foundations of the field as it is today. It aims to provide that synthesis as an integrated science, in terms of a multi-dimensional design space that has been partially explored. As with any science worth its salt, artificial intelligence has a coherent, formal theory and a rambunctious experimental wing. The book balances theory and experiment, showing how to link them intimately together. It develops the science of AI together with its engineering applications.

Proscia is a leading provider of digital pathology solutions for the modern laboratory. Its flagship product, Concentriq, is an enterprise pathology platform that enables anatomic pathology laboratories to achieve 100% digitization and deliver faster, more precise results. Proscia also offers a range of AI applications that can be used to automate tasks, improve diagnostic accuracy, and accelerate research. The company's mission is to perfect cancer diagnosis with intelligent software that changes the way the world practices pathology.

AIOZ Network is an AI-powered platform that focuses on Web3, AI, storage, and streaming services. It offers decentralized AI computation, fast and reliable storage solutions, and seamless video streaming for dApps within the network. AIOZ aims to empower a fast, secure, and decentralized future by providing a one-click integration of dApps on the AIOZ blockchain, supporting popular smart contract languages, and utilizing spare computing resources from a global community of nodes.

Live Portrait Ai Generator is an AI application that transforms static portrait images into lifelike videos using advanced animation technology. Users can effortlessly animate their portraits, fine-tune animations, unleash artistic styles, and make memories move with text, music, and other elements. The tool offers a seamless stitching technology and retargeting capabilities to achieve perfect results. Live Portrait Ai enhances generation quality and generalization ability through a mixed image-video training strategy and network architecture upgrades.

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.

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.

NLTK (Natural Language Toolkit) is a leading platform for building Python programs to work with human language data. It provides easy-to-use interfaces to over 50 corpora and lexical resources such as WordNet, along with a suite of text processing libraries for classification, tokenization, stemming, tagging, parsing, and semantic reasoning, wrappers for industrial-strength NLP libraries, and an active discussion forum. Thanks to a hands-on guide introducing programming fundamentals alongside topics in computational linguistics, plus comprehensive API documentation, NLTK is suitable for linguists, engineers, students, educators, researchers, and industry users alike.

Lavo Life Sciences is an AI-accelerated crystal structure prediction application that aims to accelerate drug development processes. The platform provides solutions for de-risking pipelines, optimizing solid-state formulations, and avoiding late-stage surprises using AI technology. Lavo Life Sciences combines the expertise of chemists and engineers in AI and computational chemistry to offer innovative solutions for drug development teams.

Bay Area AI is a technical AI meetup group based in San Francisco, CA, consisting of startup engineers, research scientists, computational linguists, mathematicians, and philosophers. The group focuses on understanding the meaning of text, reasoning, and human intent through technology to build new businesses and enhance the human experience in the modern connected world. They work on building systems with Machine Learning on top of Data Pipelines, exploring open-source solutions, and modeling human behavior in industry for practical results.

Wolfram is a comprehensive platform that unifies algorithms, data, notebooks, linguistics, and deployment to provide a powerful computation platform. It offers a range of products and services for various industries, including education, engineering, science, and technology. Wolfram is known for its revolutionary knowledge-based programming language, Wolfram Language, and its flagship product Wolfram|Alpha, a computational knowledge engine. The platform also includes Wolfram Cloud for cloud-based services, Wolfram Engine for software implementation, and Wolfram Data Framework for real-world data analysis.

NeuReality is an AI-centric solution designed to democratize AI adoption by providing purpose-built tools for deploying and scaling inference workflows. Their innovative AI-centric architecture combines hardware and software components to optimize performance and scalability. The platform offers a one-stop shop for AI inference, addressing barriers to AI adoption and streamlining computational processes. NeuReality's tools enable users to deploy, afford, use, and manage AI more efficiently, making AI easy and accessible for a wide range of applications.

Wolfram|Alpha is a computational knowledge engine that answers questions using data, algorithms, and artificial intelligence. It can perform calculations, generate graphs, and provide information on a wide range of topics, including mathematics, science, history, and culture. Wolfram|Alpha is used by students, researchers, and professionals around the world to solve problems, learn new things, and make informed decisions.

Altair is a global leader in computational intelligence, offering software and cloud solutions in simulation, HPC, data analytics, and AI. The platform provides advanced technology for accelerating AI adoption, powering engineering processes, and enabling sustainability solutions across various industries. Altair's products and platforms cater to diverse sectors such as aerospace, automotive, healthcare, and more, with a focus on digital twin technology, generative AI, and cloud computing. The company also hosts events, webinars, and training programs to support users in leveraging their tools effectively.

AITom is an open-source platform for AI-driven cellular electron cryo-tomography analysis. It is developed to process large amounts of Cryo-ET data, reconstruct, detect, classify, recover, and spatially model different cellular components using state-of-the-art machine learning approaches. The platform aims to automate cellular structure discovery and provide new insights into molecular biology and medical applications.

PINNACLE is a flexible geometric deep learning approach that trains on contextualized protein interaction networks to generate context-aware protein representations. It provides protein representations split across various cell-type contexts from different tissues and organs. The tool can be fine-tuned to study the genomic effects of drugs and nominate promising protein targets and cell-type contexts for further investigation. PINNACLE exemplifies the paradigm of incorporating context-specific effects for studying biological systems, especially the impact of disease and therapeutics.

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.

SciML.ai is an open source software organization dedicated to unifying packages for scientific machine learning. It focuses on developing modular scientific simulation support software, including differential equation solvers, inverse problems methodologies, and automated model discovery. The organization aims to provide a diverse set of tools with a common interface, creating a modular, easily-extendable, and highly performant ecosystem for scientific simulations. The website serves as a platform to showcase SciML organization's packages and share news within the ecosystem. Pull requests are encouraged for contributions.

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.

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.

AlphaFold3 is an implementation of the Alpha Fold 3 model in PyTorch for accurate structure prediction of biomolecular interactions. It includes modules for genetic diffusion and full model examples for forward pass computations. The tool allows users to generate random pair and single representations, operate on atomic coordinates, and perform structure predictions based on input tensors. The implementation also provides functionalities for training and evaluating the model.

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.

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.

LlamaBot is a Pythonic bot interface to Large Language Models (LLMs), providing an easy way to experiment with LLMs in Jupyter notebooks and build Python apps utilizing LLMs. It supports all models available in LiteLLM. Users can access LLMs either through local models with Ollama or by using API providers like OpenAI and Mistral. LlamaBot offers different bot interfaces like SimpleBot, ChatBot, QueryBot, and ImageBot for various tasks such as rephrasing text, maintaining chat history, querying documents, and generating images. The tool also includes CLI demos showcasing its capabilities and supports contributions for new features and bug reports from the community.

Taiyi (太一) is a bilingual large language model fine-tuned for diverse biomedical tasks. It aims to facilitate communication between healthcare professionals and patients, provide medical information, and assist in diagnosis, biomedical knowledge discovery, drug development, and personalized healthcare solutions. The model is based on the Qwen-7B-base model and has been fine-tuned using rich bilingual instruction data. It covers tasks such as question answering, biomedical dialogue, medical report generation, biomedical information extraction, machine translation, title generation, text classification, and text semantic similarity. The project also provides standardized data formats, model training details, model inference guidelines, and overall performance metrics across various BioNLP tasks.

Nucleoid is a declarative (logic) runtime environment that manages both data and logic under the same runtime. It uses a declarative programming paradigm, which allows developers to focus on the business logic of the application, while the runtime manages the technical details. This allows for faster development and reduces the amount of code that needs to be written. Additionally, the sharding feature can help to distribute the load across multiple instances, which can further improve the performance of the system.

The Expected Parrot Domain-Specific Language (EDSL) package enables users to conduct computational social science and market research with AI. It facilitates designing surveys and experiments, simulating responses using large language models, and performing data labeling and other research tasks. EDSL includes built-in methods for analyzing, visualizing, and sharing research results. It is compatible with Python 3.9 - 3.11 and requires API keys for LLMs stored in a `.env` file.

AiiDA (www.aiida.net) is a workflow manager for computational science with a strong focus on provenance, performance and extensibility. **Features** * **Workflows:** Write complex, auto-documenting workflows in python, linked to arbitrary executables on local and remote computers. The event-based workflow engine supports tens of thousands of processes per hour with full checkpointing. * **Data provenance:** Automatically track inputs, outputs & metadata of all calculations in a provenance graph for full reproducibility. Perform fast queries on graphs containing millions of nodes. * **HPC interface:** Move your calculations to a different computer by changing one line of code. AiiDA is compatible with schedulers like SLURM, PBS Pro, torque, SGE or LSF out of the box. * **Plugin interface:** Extend AiiDA with plugins for new simulation codes (input generation & parsing), data types, schedulers, transport modes and more. * **Open Science:** Export subsets of your provenance graph and share them with peers or make them available online for everyone on the Materials Cloud. * **Open source:** AiiDA is released under the MIT open source license

Pipeline is a Python library designed for constructing computational flows for AI/ML models. It supports both development and production environments, offering capabilities for inference, training, and finetuning. The library serves as an interface to Mystic, enabling the execution of pipelines at scale and on enterprise GPUs. Users can also utilize this SDK with Pipeline Core on a private hosted cluster. The syntax for defining AI/ML pipelines is reminiscent of sessions in Tensorflow v1 and Flows in Prefect.

Apache Airavata is a software framework for executing and managing computational jobs on distributed computing resources. It supports local clusters, supercomputers, national grids, academic and commercial clouds. Airavata utilizes service-oriented computing, distributed messaging, and workflow composition. It includes a server package with an API, client SDKs, and a general-purpose UI implementation called Apache Airavata Django Portal.

LangSim is a tool developed to address the challenge of using simulation tools in computational chemistry and materials science, which typically require cryptic input files or programming experience. The tool provides a Large Language Model (LLM) extension with agents to couple the LLM to scientific simulation codes and calculate physical properties from a natural language interface. It aims to simplify the process of interacting with simulation tools by enabling users to query the large language model directly from a Python environment or a web-based interface.

EZKL is a library and command-line tool for doing inference for deep learning models and other computational graphs in a zk-snark (ZKML). It enables the following workflow: 1. Define a computational graph, for instance a neural network (but really any arbitrary set of operations), as you would normally in pytorch or tensorflow. 2. Export the final graph of operations as an .onnx file and some sample inputs to a .json file. 3. Point ezkl to the .onnx and .json files to generate a ZK-SNARK circuit with which you can prove statements such as: > "I ran this publicly available neural network on some private data and it produced this output" > "I ran my private neural network on some public data and it produced this output" > "I correctly ran this publicly available neural network on some public data and it produced this output" In the backend we use the collaboratively-developed Halo2 as a proof system. The generated proofs can then be verified with much less computational resources, including on-chain (with the Ethereum Virtual Machine), in a browser, or on a device.

Assists in evaluating protein engineering tools.

Skilled in Python, Linux, R, and more.

AI protein design assistant

A digital homage to honor Stephen Wolfram's impact on computational science and technology and to celebrate his dedication to public education, powered by Stephen Wolfram's wealth of public presentations, writings, and live streams.

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

💡 Inventor of languages

Expert in Marian NMT models and training

大型语言模型的学习和训练指导专家

Formal OpenMC Python API and debugging expert.

Blends academic insights & accessible explanations on P vs NP, drawing from Lance Fortnow's works.

A playful CFD advisor

Expert in OpenFOAM for CFD queries

Expert in GH-Python scripting & Grasshopper components

Advises on Bioconda recipes, following community guidelines

A interactive chatbot

Advanced AI for complex computations and data analysis.