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Implement a ChatGPT-like LLM in PyTorch from scratch, step by step
A service for generating GitHub-like graphs. Record and Track your habits or effort. All by API.
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
Implementation of Graph Convolutional Networks in TensorFlow
Measures of roughness for molecular property landscapes
add-on to plotly which show molecule images on mouseover!
Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
🎓 Sharing machine learning course / lecture notes.
Our own implementation of Neural Message Passing for Computer Vision paper
ETHmodlab / ai-on-a-chip
Forked from abuttonCH/ai-on-a-chipThis code was written for the publication "Combining generative artificial intelligence and on-chip synthesis for de novo drug design"
marcossantanaioc / mpnn_gilmer
Forked from brain-research/mpnnOpen source implementation of "Neural Message Passing for Quantum Chemistry"
Open source implementation of "Neural Message Passing for Quantum Chemistry"
Graph Neural Networks for Quantum Chemistry
DALL·E Mini - Generate images from a text prompt
A Python Library for Graph Outlier Detection (Anomaly Detection)
Important Note fastrl version 2 is being developed at fastrl. Note the link in the readme
Simple package for fast molecular similarity searches
This repo contains annotated research papers that I found really good and useful
ChEMBL database structure pipelines
📚 Papers & tech blogs by companies sharing their work on data science & machine learning in production.
scikit-learn cross validators for iterative stratification of multilabel data
A curated list of awesome Cheminformatics libraries and software.
Unofficial implementation of: Multi-task learning using uncertainty to weigh losses for scene geometry and semantics
Grad CAM for Text Classification