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.

AICSImageIO is a Python tool for Image Reading, Metadata Conversion, and Image Writing for Microscopy Images. It supports various file formats like OME-TIFF, TIFF, ND2, DV, CZI, LIF, PNG, GIF, and Bio-Formats. Users can read and write metadata and imaging data, work with different file systems like local paths, HTTP URLs, s3fs, and gcsfs. The tool provides functionalities for full image reading, delayed image reading, mosaic image reading, metadata reading, xarray coordinate plane attachment, cloud IO support, and saving to OME-TIFF. It also offers benchmarking and developer resources.

HQQ is a fast and accurate model quantizer that skips the need for calibration data. It's super simple to implement (just a few lines of code for the optimizer). It can crunch through quantizing the Llama2-70B model in only 4 minutes! 🚀

llm-compressor is an easy-to-use library for optimizing models for deployment with vllm. It provides a comprehensive set of quantization algorithms, seamless integration with Hugging Face models and repositories, and supports mixed precision, activation quantization, and sparsity. Supported algorithms include PTQ, GPTQ, SmoothQuant, and SparseGPT. Installation can be done via git clone and local pip install. Compression can be easily applied by selecting an algorithm and calling the oneshot API. The library also offers end-to-end examples for model compression. Contributions to the code, examples, integrations, and documentation are appreciated.

Upgini is an intelligent data search engine with a Python library that helps users find and add relevant features to their ML pipeline from various public, community, and premium external data sources. It automates the optimization of connected data sources by generating an optimal set of machine learning features using large language models, GraphNNs, and recurrent neural networks. The tool aims to simplify feature search and enrichment for external data to make it a standard approach in machine learning pipelines. It democratizes access to data sources for the data science community.

ChatLLM.cpp is a pure C++ implementation tool for real-time chatting with RAG on your computer. It supports inference of various models ranging from less than 1B to more than 300B. The tool provides accelerated memory-efficient CPU inference with quantization, optimized KV cache, and parallel computing. It allows streaming generation with a typewriter effect and continuous chatting with virtually unlimited content length. ChatLLM.cpp also offers features like Retrieval Augmented Generation (RAG), LoRA, Python/JavaScript/C bindings, web demo, and more possibilities. Users can clone the repository, quantize models, build the project using make or CMake, and run quantized models for interactive chatting.

OpenedAI Speech is a free, private text-to-speech server compatible with the OpenAI audio/speech API. It offers custom voice cloning and supports various models like tts-1 and tts-1-hd. Users can map their own piper voices and create custom cloned voices. The server provides multilingual support with XTTS voices and allows fixing incorrect sounds with regex. Recent changes include bug fixes, improved error handling, and updates for multilingual support. Installation can be done via Docker or manual setup, with usage instructions provided. Custom voices can be created using Piper or Coqui XTTS v2, with guidelines for preparing audio files. The tool is suitable for tasks like generating speech from text, creating custom voices, and multilingual text-to-speech applications.

RAPTOR introduces a novel approach to retrieval-augmented language models by constructing a recursive tree structure from documents. This allows for more efficient and context-aware information retrieval across large texts, addressing common limitations in traditional language models. Users can add documents to the tree, answer questions based on indexed documents, save and load the tree, and extend RAPTOR with custom summarization, question-answering, and embedding models. The tool is designed to be flexible and customizable for various NLP tasks.

RAFT (Reusable Accelerated Functions and Tools) is a C++ header-only template library with an optional shared library that contains fundamental widely-used algorithms and primitives for machine learning and information retrieval. The algorithms are CUDA-accelerated and form building blocks for more easily writing high performance applications.

SageAttention is an official implementation of an accurate 8-bit attention mechanism for plug-and-play inference acceleration. It is optimized for RTX4090 and RTX3090 GPUs, providing performance improvements for specific GPU architectures. The tool offers a technique called 'smooth_k' to ensure accuracy in processing FP16/BF16 data. Users can easily replace 'scaled_dot_product_attention' with SageAttention for faster video processing.

ZML is a high-performance AI inference stack built for production, using Zig language, MLIR, and Bazel. It allows users to create exciting AI projects, run pre-packaged models like MNIST, TinyLlama, OpenLLama, and Meta Llama, and compile models for accelerator runtimes. Users can also run tests, explore examples, and contribute to the project. ZML is licensed under the Apache 2.0 license.

Cursive is a universal and intuitive framework for interacting with LLMs. It is extensible, allowing users to hook into any part of a completion life cycle. Users can easily describe functions that LLMs can use with any supported model. Cursive aims to bridge capabilities between different models, providing a single interface for users to choose any model. It comes with built-in token usage and costs calculations, automatic retry, and model expanding features. Users can define and describe functions, generate Pydantic BaseModels, hook into completion life cycle, create embeddings, and configure retry and model expanding behavior. Cursive supports various models from OpenAI, Anthropic, OpenRouter, Cohere, and Replicate, with options to pass API keys for authentication.

The Hume AI Python SDK allows users to integrate Hume APIs directly into their Python applications. Users can access complete documentation, quickstart guides, and example notebooks to get started. The SDK is designed to provide support for Hume's expressive communication platform built on scientific research. Users are encouraged to create an account at beta.hume.ai and stay updated on changes through Discord. The SDK may undergo breaking changes to improve tooling and ensure reliable releases in the future.

The HuggingFace Model Downloader is a utility tool for downloading models and datasets from the HuggingFace website. It offers multithreaded downloading for LFS files and ensures the integrity of downloaded models with SHA256 checksum verification. The tool provides features such as nested file downloading, filter downloads for specific LFS model files, support for HuggingFace Access Token, and configuration file support. It can be used as a library or a single binary for easy model downloading and inference in projects.

DeepPavlov is an open-source conversational AI library built on PyTorch. It is designed for the development of production-ready chatbots and complex conversational systems, as well as for research in the area of NLP and dialog systems. The library offers a wide range of models for tasks such as Named Entity Recognition, Intent/Sentence Classification, Question Answering, Sentence Similarity/Ranking, Syntactic Parsing, and more. DeepPavlov also provides embeddings like BERT, ELMo, and FastText for various languages, along with AutoML capabilities and integrations with REST API, Socket API, and Amazon AWS.

DataDreamer is an advanced toolkit designed to facilitate the development of edge AI models by enabling synthetic data generation, knowledge extraction from pre-trained models, and creation of efficient and potent models. It eliminates the need for extensive datasets by generating synthetic datasets, leverages latent knowledge from pre-trained models, and focuses on creating compact models suitable for integration into any device and performance for specialized tasks. The toolkit offers features like prompt generation, image generation, dataset annotation, and tools for training small-scale neural networks for edge deployment. It provides hardware requirements, usage instructions, available models, and limitations to consider while using the library.

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.

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.

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.

The Open MatSci ML Toolkit is a flexible framework for machine learning in materials science. It provides a unified interface to a variety of materials science datasets, as well as a set of tools for data preprocessing, model training, and evaluation. The toolkit is designed to be easy to use for both beginners and experienced researchers, and it can be used to train models for a wide range of tasks, including property prediction, materials discovery, and materials design.

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.

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.

This repository contains the code for the paper Fine-Tuned Language Models Generate Stable Inorganic Materials as Text. It demonstrates how finetuned LLMs can be used to generate stable materials, match or exceed the performance of domain specific models, mutate existing materials, and sample crystal structures conditioned on text descriptions. The method is distinct from CrystaLLM, which trains language models from scratch on CIF-formatted crystals.

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.

ADMET-AI is a platform for ADMET prediction using Chemprop-RDKit models trained on ADMET datasets from the Therapeutics Data Commons. It offers command line, Python API, and web server interfaces for making ADMET predictions on new molecules. The platform can be easily installed using pip and supports GPU acceleration. It also provides options for processing TDC data, plotting results, and hosting a web server. ADMET-AI is a machine learning platform for evaluating large-scale chemical libraries.