Best AI tools for< Scaffold Hopping >

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

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.

This repository is a low-code tool that supports ChatGPT and other LLM models. It provides functionalities such as OCR translation, generating specified format JSON, translating Chinese to camel case, translating current directory to English, and quickly creating code templates. Users can also generate CURD operations for managing backend list pages. The tool allows users to select templates, initialize query form configurations using OCR, initialize table configurations using OCR, translate Chinese fields using ChatGPT, and generate code without writing a single line. It aims to enhance productivity by simplifying code generation and development processes.

SWE-Lancer is a benchmark repository containing datasets and code for the paper 'SWE-Lancer: Can Frontier LLMs Earn $1 Million from Real-World Freelance Software Engineering?'. It provides instructions for package management, building Docker images, configuring environment variables, and running evaluations. Users can use this tool to assess the performance of language models in real-world freelance software engineering tasks.

CodeSpin.AI is a set of open-source code generation tools that leverage large language models (LLMs) to automate coding tasks. With CodeSpin, you can generate code in various programming languages, including Python, JavaScript, Java, and C++, by providing natural language prompts. CodeSpin offers a range of features to enhance code generation, such as custom templates, inline prompting, and the ability to use ChatGPT as an alternative to API keys. Additionally, CodeSpin provides options for regenerating code, executing code in prompt files, and piping data into the LLM for processing. By utilizing CodeSpin, developers can save time and effort in coding tasks, improve code quality, and explore new possibilities in code generation.

VedAstro is an open-source Vedic astrology tool that provides accurate astrological predictions and data. It offers a user-friendly website, a chat API, an open API, a JavaScript SDK, a Swiss Ephemeris API, and a machine learning table generator. VedAstro is free to use and is constantly being updated with new features and improvements.

Pacha is an AI tool designed for retrieving context for natural language queries using a SQL interface and Python programming environment. It is optimized for working with Hasura DDN for multi-source querying. Pacha is used in conjunction with language models to produce informed responses in AI applications, agents, and chatbots.

Seer is a service that provides AI capabilities to Sentry by running inference on Sentry issues and providing user insights. It is currently in early development and not yet compatible with self-hosted Sentry instances. The tool requires access to internal Sentry resources and is intended for internal Sentry employees. Users can set up the environment, download model artifacts, integrate with local Sentry, run evaluations for Autofix AI agent, and deploy to a sandbox staging environment. Development commands include applying database migrations, creating new migrations, running tests, and more. The tool also supports VCRs for recording and replaying HTTP requests.

Nmed2024 is a GitHub repository that contains code for a neural network model designed for medical image analysis. The repository includes scripts for training the model, as well as pre-trained weights for quick deployment. The model is specifically tailored for detecting abnormalities in medical images, such as tumors or fractures. It utilizes deep learning techniques to achieve high accuracy and can be easily integrated into existing medical imaging systems. Researchers and developers in the healthcare industry can leverage this tool to enhance the efficiency and accuracy of medical image analysis tasks.

LarAgent is a framework designed to simplify the creation and management of AI agents within Laravel projects. It offers an Eloquent-like syntax for creating and managing AI agents, Laravel-style artisan commands, flexible agent configuration, structured output handling, image input support, and extensibility. LarAgent supports multiple chat history storage options, custom tool creation, event system for agent interactions, multiple provider support, and can be used both in Laravel and standalone environments. The framework is constantly evolving to enhance developer experience, improve AI capabilities, enhance security and storage features, and enable advanced integrations like provider fallback system, Laravel Actions integration, and voice chat support.

Ollama is a lightweight, extensible framework for building and running language models on the local machine. It provides a simple API for creating, running, and managing models, as well as a library of pre-built models that can be easily used in a variety of applications. Ollama is designed to be easy to use and accessible to developers of all levels. It is open source and available for free on GitHub.

Recent LLM (Large Language Models)-based CV and multi-modal works.

AXONE Smart Contracts repository hosts Smart Contracts for the AXONE network, compatible with any Cosmos blockchains using the CosmWasm framework. It includes storage, sovereignty, and resource management oriented Smart Contracts. Each contract has different functionalities and maturity stages, with detailed tech documentation and emojis indicating maturity levels. The repository provides tools for building, testing, deploying, and interacting with Smart Contracts, along with guidelines for contributing and community engagement.

Dravid (DRD) is an advanced, AI-powered CLI coding framework designed to follow user instructions until the job is completed, including fixing errors. It can generate code, fix errors, handle image queries, manage file operations, integrate with external APIs, and provide a development server with error handling. Dravid is extensible and requires Python 3.7+ and CLAUDE_API_KEY. Users can interact with Dravid through CLI commands for various tasks like creating projects, asking questions, generating content, handling metadata, and file-specific queries. It supports use cases like Next.js project development, working with existing projects, exploring new languages, Ruby on Rails project development, and Python project development. Dravid's project structure includes directories for source code, CLI modules, API interaction, utility functions, AI prompt templates, metadata management, and tests. Contributions are welcome, and development setup involves cloning the repository, installing dependencies with Poetry, setting up environment variables, and using Dravid for project enhancements.

LangGraph for Java is a library designed for building stateful, multi-agent applications with LLMs. It is a porting of the original LangGraph from the LangChain AI project to Java. The library allows users to define agent states, nodes, and edges in a graph structure to create complex workflows. It integrates with LangChain4j and provides tools for executing actions based on agent decisions. LangGraph for Java enables users to create asynchronous node actions, conditional edges, and normal edges to model decision-making processes in applications.

Lovelaice is an AI-powered assistant for your terminal and editor. It can run bash commands, search the Internet, answer general and technical questions, complete text files, chat casually, execute code in various languages, and more. Lovelaice is configurable with API keys and LLM models, and can be used for a wide range of tasks requiring bash commands or coding assistance. It is designed to be versatile, interactive, and helpful for daily tasks and projects.

VimLM is an AI-powered coding assistant for Vim that integrates AI for code generation, refactoring, and documentation directly into your Vim workflow. It offers native Vim integration with split-window responses and intuitive keybindings, offline first execution with MLX-compatible models, contextual awareness with seamless integration with codebase and external resources, conversational workflow for iterating on responses, project scaffolding for generating and deploying code blocks, and extensibility for creating custom LLM workflows with command chains.

Groqbook is a streamlit app that quickly generates entire books from a one-line prompt using Llama3 on Groq. It focuses on nonfiction books, generating chapters within seconds by utilizing Llama3-8b and Llama3-70b models. The tool currently uses section titles to create chapter content, with plans to expand to full book context for fiction books. Users can download the book contents in a text file, and the app supports markdown styling with tables and code for an aesthetic book display.

Your personal biomedical engineer. Create anything related to BME.