10000 lopez-hector (Hector Lopez Hernandez, PhD) / Starred · GitHub
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Python 96 13 Updated Mar 3, 2025

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…

HCL 28 3 Updated Jul 8, 2025

Simple Extended BCubed implementation in Python for clustering evaluation

Python 50 9 Updated Jan 29, 2020

A command-line interface to Spotify.

Shell 2,033 153 Updated Feb 2, 2025

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

Python 1 Updated Sep 19, 2023

CLI chat dialog with open ai api

Python 2 Updated Dec 19, 2023

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

Python 7,210 716 Updated Jul 8, 2025

Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

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

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

Python 22 4 Updated Oct 27, 2023

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

Python 3,678 708 Updated Feb 7, 2024

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

Python 10 5 Updated Dec 8, 2022

LLM powered development for Neovim

Lua 1,043 56 Updated Jan 9, 2025

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

Jupyter Notebook 457 67 Updated Oct 27, 2024

Repository for MolFormer

Jupyter Notebook 323 51 Updated May 8, 2025

a molecular descriptor calculator

Python 414 103 Updated Feb 7, 2024

Message Passing Neural Networks for Molecule Property Prediction

Python 2,018 654 Updated Jul 8, 2025

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

Python 2,307 354 Updated Jun 7, 2024

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

Jupyter Notebook 340 62 Updated Dec 22, 2022

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

Python 6,087 1,883 Updated Jul 7, 2025

The official sources for the RDKit library

HTML 2,989 929 Updated Jul 4, 2025

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

TypeScript 755 115 Updated Feb 26, 2024

Using LLM to automate literature reviews

Python 11 2 Updated May 17, 2023

A voice chat app

Python 1,145 140 Updated May 21, 2025

Automatically profile dataframes in the Jupyter sidebar

Svelte 365 11 Updated Jan 21, 2024

High accuracy RAG for answering questions from scientific documents with citations

Python 7,543 749 Updated Jul 9, 2025

LLM Chain for answering questions from documents with citations

Python 1 Updated Apr 5, 2023
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