This repository contains code for a near real-time news clustering and summarization solution using AWS services like Lambda, Step Functions, Kinesis, and Bedrock. It demonstrates how to efficientl…

Simple Extended BCubed implementation in Python for clustering evaluation

A command-line interface to Spotify.

PEFT fine-tuning, Causal Inference, and Testing of Open-Source LLMs

CLI chat dialog with open ai api

Accessible large language models via k-bit quantization for PyTorch.

Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing

Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Long-Range and Hierarchical Structures

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

Simulates polymer chain growth based on the Mayo Lewis equation and the Monte Carlo method

LLM powered development for Neovim

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

Repository for MolFormer

a molecular descriptor calculator

Message Passing Neural Networks for Molecule Property Prediction

Graphormer is a general-purpose deep learning backbone for molecular modeling.

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

The official sources for the RDKit library

Embeds text files into vectors, stores them on Pinecone, and enables semantic search using GPT3 and Langchain in a Next.js UI

Using LLM to automate literature reviews

A voice chat app

Automatically profile dataframes in the Jupyter sidebar

High accuracy RAG for answering questions from scientific documents with citations

LLM Chain for answering questions from documents with citations