Fully local web research and report writing assistant

Research and development (R&D) is crucial for the enhancement of industrial productivity, especially in the AI era, where the core aspects of R&D are mainly focused on data and models. We are commi…

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑‍🔬

Dify is an open-source LLM app development platform. Dify's intuitive interface combines AI workflow, RAG pipeline, agent capabilities, model management, observability features and more, letting yo…

A self-hosted dashboard that puts all your feeds in one place

A live stream development of RL tunning for LLM agents

GenAI Cookbook

cuML - RAPIDS Machine Learning Library

End-To-End Molecular Dynamics (MD) Engine using PyTorch

FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery

In-depth tutorials on LLMs, RAGs and real-world AI agent applications.

A high-throughput and memory-efficient inference and serving engine for LLMs

Official implementation of All Atom Diffusion Transformers

Train transformer language models with reinforcement learning.

Agent Framework / shim to use Pydantic with LLMs

Matplotlib styles for scientific plotting

A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes

The Hugging Face course on Transformers

Implementation of the proposed DeepCrossAttention by Heddes et al at Google research, in Pytorch

This repository contains the Hugging Face Agents Course.

Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Chemistry studies with only one command line.

An AI-powered research assistant that performs iterative, deep research on any topic by combining search engines, web scraping, and large language models. The goal of this repo is to provide the si…

Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation

Explorations into whether a transformer with RL can direct a genetic algorithm to converge faster

A self-hostable bookmark-everything app (links, notes and images) with AI-based automatic tagging and full text search

Operate and manipulate physical quantities in Python

Machine Learning in Drug Discovery Resources 2024

Dynamic Protein Data Bank

Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration

A new markup-based typesetting system that is powerful and easy to learn.