Best AI tools for< Molecular Biologist >

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.

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

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.

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.

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.

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.

Genesis Therapeutics is a cutting-edge platform that leverages molecular AI technology to discover and develop highly potent and selective medicines. Their proprietary AI platform, GEMS, combines AI and physics research to target challenging protein structures and create innovative drug candidates with exceptional efficacy. The company's success is driven by a collaborative approach, bringing together experts in AI and biotech to tackle complex drug discovery challenges.

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.

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.

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.

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.

GROMACS Copilot is an agent designed to automate molecular dynamics simulations for proteins in water using GROMACS. It handles system setup, simulation execution, and result analysis automatically, providing outputs such as RMSD, RMSF, Rg, and H-bonds. Users can interact with the agent through prompts and API keys from DeepSeek and OpenAI. The tool aims to simplify the process of running MD simulations, allowing users to focus on other tasks while it handles the technical aspects of the simulations.

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.

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.

New AI Drug Discovery is a repository focused on the applications of Large Language Models (LLM) in drug discovery. It provides resources, tools, and examples for leveraging LLM technology in the pharmaceutical industry. The repository aims to showcase the potential of using AI-driven approaches to accelerate the drug discovery process, improve target identification, and optimize molecular design. By exploring the intersection of artificial intelligence and drug development, this repository offers insights into the latest advancements in computational biology and cheminformatics.

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.

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.

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.

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.

SurveyX is an advanced academic survey automation system that leverages Large Language Models (LLMs) to generate high-quality, domain-specific academic papers and surveys. Users can request comprehensive academic papers or surveys tailored to specific topics by providing a paper title and keywords for literature retrieval. The system streamlines academic research by automating paper creation, saving users time and effort in compiling research content.

OpenCRISPR is a set of free and open gene editing systems designed by Profluent Bio. The OpenCRISPR-1 protein maintains the prototypical architecture of a Type II Cas9 nuclease but is hundreds of mutations away from SpCas9 or any other known natural CRISPR-associated protein. You can view OpenCRISPR-1 as a drop-in replacement for many protocols that need a cas9-like protein with an NGG PAM and you can even use it with canonical SpCas9 gRNAs. OpenCRISPR-1 can be fused in a deactivated or nickase format for next generation gene editing techniques like base, prime, or epigenome editing.

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.

AIDE is a machine learning code generation agent that can generate solutions for machine learning tasks from natural language descriptions. It has the following features: 1. **Instruct with Natural Language**: Describe your problem or additional requirements and expert insights, all in natural language. 2. **Deliver Solution in Source Code**: AIDE will generate Python scripts for the **tested** machine learning pipeline. Enjoy full transparency, reproducibility, and the freedom to further improve the source code! 3. **Iterative Optimization**: AIDE iteratively runs, debugs, evaluates, and improves the ML code, all by itself. 4. **Visualization**: We also provide tools to visualize the solution tree produced by AIDE for a better understanding of its experimentation process. This gives you insights not only about what works but also what doesn't. AIDE has been benchmarked on over 60 Kaggle data science competitions and has demonstrated impressive performance, surpassing 50% of Kaggle participants on average. It is particularly well-suited for tasks that require complex data preprocessing, feature engineering, and model selection.

Awesome-Segment-Anything is a powerful tool for segmenting and extracting information from various types of data. It provides a user-friendly interface to easily define segmentation rules and apply them to text, images, and other data formats. The tool supports both supervised and unsupervised segmentation methods, allowing users to customize the segmentation process based on their specific needs. With its versatile functionality and intuitive design, Awesome-Segment-Anything is ideal for data analysts, researchers, content creators, and anyone looking to efficiently extract valuable insights from complex datasets.

ceLLama is a streamlined automation pipeline for cell type annotations using large-language models (LLMs). It operates locally to ensure privacy, provides comprehensive analysis by considering negative genes, offers efficient processing speed, and generates customized reports. Ideal for quick and preliminary cell type checks.

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.

MD-Agent is a LLM-agent based toolset for Molecular Dynamics. It uses Langchain and a collection of tools to set up and execute molecular dynamics simulations, particularly in OpenMM. The tool assists in environment setup, installation, and usage by providing detailed steps. It also requires API keys for certain functionalities, such as OpenAI and paper-qa for literature searches. Contributions to the project are welcome, with a detailed Contributor's Guide available for interested individuals.

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.

Assists in evaluating protein engineering tools.

Academic-level genomics expertise.

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

Echoes Watson & Crick, educates on DNA with depth.

I assist with statistical analysis for molecular biology

Research assistant for Atomic, Molecular, and Optics Physics

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 GPT that can provides lectures on Statistical Mechanics

A Beginners Guide to Quantum Magic