AI tools for molecular structure prediction AI tools
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HUAWEI Cloud Pangu Drug Molecule Model
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.
Lavo Life Sciences
Lavo Life Sciences is an AI-accelerated crystal structure prediction application that aims to accelerate drug development by providing accurate crystal structure predictions for small molecule drugs. The application helps in de-risking pipelines, optimizing solid-state formulations, and avoiding late-stage surprises through cutting-edge AI technology. Lavo Life Sciences combines expertise in AI and computational chemistry to offer fast and efficient solutions for drug development teams, enabling them to discover novel polymorphs and make informed decisions to enhance drug development processes.
BugFree.ai
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
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.
Tempus
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
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.
Genesis Therapeutics
Genesis Therapeutics is a cutting-edge platform that leverages molecular AI technology to discover and develop innovative medicines with exceptional potency and selectivity. The platform, known as GEMS (Generative AI for Drug Discovery), combines AI and physics research to identify drug candidates against challenging targets at an accelerated pace. The company's approach involves designing highly potent and selective drugs for chemically complex targets, driven by a team of collaborative minds across AI and biotech disciplines. Genesis Therapeutics is dedicated to advancing breakthrough medicines and bringing new hope to patients through its unique blend of technology and expertise.
Allchemy
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
Iambic Therapeutics
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.
Paige AI
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.
Osmo
Osmo is an AI scent platform that aims to give computers a sense of smell by combining frontier AI and olfactory science. The platform reads, maps, and writes scents using distinct technologies to digitize the sense of smell. Osmo's ultimate goal is to improve human health and wellbeing through smell, starting with fragrance but with far-reaching applications in various fields.
Deep Genomics
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.
Atomwise
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
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.
XtalPi
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.
Chemistry Expert
Advanced AI for chemistry, offering innovative solutions, process optimizations, and safety assessments, powered by OpenAI.
Chemistry Companion
Professional chemistry assistant, SMILES/SMART supported molecule and reaction diagrams, and more!
NMR Spectra Interpreter
Identifies signals in 1H and 13C NMR spectra, suggesting possible structures.
Electron Configuration "organic chemistry"
A guide to electron configurations with a fun, cartoony approach.
SEARCHLIGHT
Script Examples and Resource Center for Helping with LAMMPS Input Generation and High-quality Tutorials (SERCHLIGHT)
Statistical Mechanics GPT Lecturer
A GPT that can provides lectures on Statistical Mechanics
Gastronomica
Develop recipes with a deep knowledge of food and culinary science, the art of gastronomy, as well as a sense of aesthetics.
Scientific-LLM-Survey
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.
awesome-AI4MolConformation-MD
The 'awesome-AI4MolConformation-MD' repository focuses on protein conformations and molecular dynamics using generative artificial intelligence and deep learning. It provides resources, reviews, datasets, packages, and tools related to AI-driven molecular dynamics simulations. The repository covers a wide range of topics such as neural networks potentials, force fields, AI engines/frameworks, trajectory analysis, visualization tools, and various AI-based models for protein conformational sampling. It serves as a comprehensive guide for researchers and practitioners interested in leveraging AI for studying molecular structures and dynamics.
Awesome-Segment-Anything
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.
NoLabs
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.
RAG-Survey
This repository is dedicated to collecting and categorizing papers related to Retrieval-Augmented Generation (RAG) for AI-generated content. It serves as a survey repository based on the paper 'Retrieval-Augmented Generation for AI-Generated Content: A Survey'. The repository is continuously updated to keep up with the rapid growth in the field of RAG.
llms-interview-questions
This repository contains a comprehensive collection of 63 must-know Large Language Models (LLMs) interview questions. It covers topics such as the architecture of LLMs, transformer models, attention mechanisms, training processes, encoder-decoder frameworks, differences between LLMs and traditional statistical language models, handling context and long-term dependencies, transformers for parallelization, applications of LLMs, sentiment analysis, language translation, conversation AI, chatbots, and more. The readme provides detailed explanations, code examples, and insights into utilizing LLMs for various tasks.
Awesome-Graph-LLM
Awesome-Graph-LLM is a curated collection of research papers exploring the intersection of graph-based techniques with Large Language Models (LLMs). The repository aims to bridge the gap between LLMs and graph structures prevalent in real-world applications by providing a comprehensive list of papers covering various aspects of graph reasoning, node classification, graph classification/regression, knowledge graphs, multimodal models, applications, and tools. It serves as a valuable resource for researchers and practitioners interested in leveraging LLMs for graph-related tasks.
Awesome-LLM4Graph-Papers
A collection of papers and resources about Large Language Models (LLM) for Graph Learning (Graph). Integrating LLMs with graph learning techniques to enhance performance in graph learning tasks. Categorizes approaches based on four primary paradigms and nine secondary-level categories. Valuable for research or practice in self-supervised learning for recommendation systems.
matchem-llm
A public repository collecting links to state-of-the-art training sets, QA, benchmarks and other evaluations for various ML and LLM applications in materials science and chemistry. It includes datasets related to chemistry, materials, multimodal data, and knowledge graphs in the field. The repository aims to provide resources for training and evaluating machine learning models in the materials science and chemistry domains.
Cool-GenAI-Fashion-Papers
Cool-GenAI-Fashion-Papers is a curated list of resources related to GenAI-Fashion, including papers, workshops, companies, and products. It covers a wide range of topics such as fashion design synthesis, outfit recommendation, fashion knowledge extraction, trend analysis, and more. The repository provides valuable insights and resources for researchers, industry professionals, and enthusiasts interested in the intersection of AI and fashion.
AI-Drug-Discovery-Design
AI-Drug-Discovery-Design is a repository focused on Artificial Intelligence-assisted Drug Discovery and Design. It explores the use of AI technology to accelerate and optimize the drug development process. The advantages of AI in drug design include speeding up research cycles, improving accuracy through data-driven models, reducing costs by minimizing experimental redundancies, and enabling personalized drug design for specific patients or disease characteristics.
awesome-mobile-robotics
The 'awesome-mobile-robotics' repository is a curated list of important content related to Mobile Robotics and AI. It includes resources such as courses, books, datasets, software and libraries, podcasts, conferences, journals, companies and jobs, laboratories and research groups, and miscellaneous resources. The repository covers a wide range of topics in the field of Mobile Robotics and AI, providing valuable information for enthusiasts, researchers, and professionals in the domain.