Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

CYPstrate: Prediction of Cytochrome P450 substrates

Persys desktop. Electron based application to access your Persys server.

Apache Superset is a Data Visualization and Data Exploration Platform

Official code repo for the O'Reilly Book - "Hands-On Large Language Models"

The official code for PDVN: Retrosynthetic Planning with Dual Value Networks (ICML 2023)

High-Performance Symbolic Regression in Python and Julia

Generative modeling of molecular dynamics trajectories

Tools for merging pretrained large language models.

Awesome Incremental Learning

World's most performant DOM-based web table. Try it! fast-grid.vercel.app/

pyclustering is a Python, C++ data mining library.

A cheminformatic toolkit written in Rust.

Kedro is a toolbox for production-ready data science. It uses software engineering best practices to help you create data engineering and data science pipelines that are reproducible, maintainable,…

A lightweight, self-hosted friendly RSS reader

PointFlow : 3D Point Cloud Generation with Continuous Normalizing Flows

Retrosynthesis prediction for organic molecules with LocalRetro

The modern replacement for Jupyter Notebooks

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms

C implementation of chemprop

Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lig…

The official codebase for Predictive Inference with Feature Conformal Prediction

LillyMol Public Code