Practical Cheminformatics Tutorials

A command-line productivity tool powered by AI large language models like GPT-4, will help you accomplish your tasks faster and more efficiently.

AI Functional Catalog - OpenAI functions on steriods

From Pixels to Phenotypes: Integrating Image-Based Profiling with Cell Health Data Improves Interpretability

LLM inference in C/C++

The comma.ai Calibration Challenge!

substructure search in large combinatorial spaces using openchemlib

A cloud-native vector database, storage for next generation AI applications

Message Passing Neural Networks for Molecule Property Prediction

The repository provides code for running inference with the SegmentAnything Model (SAM), links for downloading the trained model checkpoints, and example notebooks that show how to use the model.

A sample app for the Retrieval-Augmented Generation pattern running in Azure, using Azure AI Search for retrieval and Azure OpenAI large language models to power ChatGPT-style and Q&A experiences.

A latent text-to-image diffusion model

Morphological profiling using deep learning

Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation

Generate high-quality triangulated and polygonal art from images.

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

Low-level Python library used to interact with a Substra network

Efficient execution and functional composition of database calls using jdbc and RxJava Observables

RxJava – Reactive Extensions for the JVM – a library for composing asynchronous and event-based programs using observable sequences for the Java VM.

Immutable in-memory R-tree and R*-tree implementations in Java with reactive api

RNA vaccines have become a key tool in moving forward through the challenges raised both in the current pandemic and in numerous other public health and medical challenges. With the rollout of vacc…

Open source Java-based chemistry library

Detectron2 is a platform for object detection, segmentation and other visual recognition tasks.

A web application front-end for browsing and investigating collection-based bioimages

A BERT model for scientific text.

ProSPr: Protein Structure Prediction

ProSPr: Protein Structure Prediction